Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
2201 |
EN300-1968342_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CF)O |
−9.9
± 0.4
|
7.2
± 0.3
|
2202 |
EN300-1301381_3_1
|
|
COC[C@@]1(CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
7.2
± 0.3
|
2203 |
EN300-268198_1_2
|
|
C[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−9.9
± 0.3
|
7.2
± 0.2
|
2204 |
EN300-305282_1_1
|
|
COC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−9.9
± 0.4
|
7.2
± 0.3
|
2205 |
EN300-233678_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2206 |
EN300-364679_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cnnn5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2207 |
EDJ-MED-4c7486ba-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−9.9
± 0.4
|
7.2
± 0.3
|
2208 |
EN300-141809_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CCS(=O)(=O)CC6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2209 |
EN300-259063_1_2
|
|
CC(=O)N1CCC[C@](C1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
7.2
± 0.3
|
2210 |
EN300-247343_3_1
|
|
CC1(CC(C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2211 |
EN300-120920_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCC(=O)NC5=O |
−9.9
± 0.2
|
7.2
± 0.2
|
2212 |
EN300-43047_1_2
|
|
CC(=O)N[C@H](CC=C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2213 |
EN300-220194_3_1
|
|
C[C@@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC |
−9.9
± 0.3
|
7.2
± 0.3
|
2214 |
EN300-156995_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCc5cn[nH]n5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2215 |
EN300-175485_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CO |
−9.9
± 0.4
|
7.2
± 0.3
|
2216 |
EN300-11300_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(=O)[nH]c(=O)[nH]5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2217 |
EN300-153257_1_1
|
|
CC(C)[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2218 |
EN300-98648_3_1
|
|
CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2219 |
EN300-253443_3_2
|
|
CCCN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2220 |
EN300-10402_1_1
|
|
CS(=O)(=O)[N@]1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
7.2
± 0.3
|
2221 |
EN300-198240_3_2
|
|
Cn1cc(cn1)[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC |
−9.9
± 0.3
|
7.2
± 0.2
|
2222 |
EN300-189672_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(=O)[nH]c5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2223 |
EN300-80083_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCC(=O)N5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2224 |
EN300-201553_1_1
|
|
Cn1cc([cH+][nH]1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2225 |
DAR-DIA-0d514e7d-8
|
|
C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N |
−9.89
± 0.07
|
7.21
± 0.05
|
2226 |
EN300-657211_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]nc(n5)C6CC6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2227 |
EN300-1425677_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCO5)CO |
−9.9
± 0.3
|
7.2
± 0.2
|
2228 |
EN300-210552_3_2
|
|
CC(=O)N1CCC[C@](C1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.5
|
7.2
± 0.4
|
2229 |
EN300-1239522_1_2
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC |
−9.9
± 0.3
|
7.2
± 0.2
|
2230 |
EN300-7426520_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CCOC(=O)[C@H]6C5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2231 |
EN300-1654606_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5F |
−9.9
± 0.1
|
7.20
± 0.09
|
2232 |
EDG-MED-90036822-95
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(C5CCNCC5)F |
−9.9
± 0.2
|
7.2
± 0.2
|
2233 |
EN300-341337_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@@H]5CCOC6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2234 |
EN300-185398_2_2
|
|
C[C@H](C(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O |
−9.9
± 0.2
|
7.2
± 0.2
|
2235 |
EN300-142412_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCCC(=O)N |
−9.9
± 0.3
|
7.2
± 0.2
|
2236 |
DAR-DIA-0d514e7d-28_1
|
|
C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl |
−9.9
± 0.1
|
7.20
± 0.07
|
2237 |
EN300-51028_1_1
|
|
CC(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2238 |
EN300-307008_1_1
|
|
CN1[C@@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2239 |
EN300-42269_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnns5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2240 |
EN300-10747_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CSCC5=O |
−9.9
± 0.3
|
7.2
± 0.2
|
2241 |
EN300-6736413_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCNC5=O |
−9.9
± 0.1
|
7.2
± 0.1
|
2242 |
EN300-101197_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]ncn5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2243 |
EN300-331593_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)CO |
−9.9
± 0.3
|
7.2
± 0.2
|
2244 |
EN300-31183_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC |
−9.9
± 0.3
|
7.2
± 0.3
|
2245 |
EN300-239219_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc(no5)c6cnccn6 |
−9.9
± 0.2
|
7.2
± 0.1
|
2246 |
RAL-THA-05e671eb-20
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4C#N)Cl |
−9.88
± 0.09
|
7.20
± 0.07
|
2247 |
ALP-UNI-dbbfd3db-8
|
|
c1ccc(cc1)c2nnn(n2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2248 |
ALP-POS-3b848b35-4
|
|
c1ccc2c(c1)cncc2NC(=O)C(CCC3CCCCC3)c4cccc(c4)Cl |
−9.9
± 0.3
|
7.2
± 0.2
|
2249 |
EN300-7355519_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2250 |
EN300-6744028_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2251 |
EN300-188324_2_3
|
|
C[C@@H]1[C@](CCO1)(CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2252 |
EN300-132963_3_1
|
|
CN1[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2253 |
EN300-261986_3_2
|
|
CS(=O)(=O)[N@@]1CC[C@H](C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2254 |
EN300-1448674_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6c(ncn6)C5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2255 |
EN300-36158_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCCO5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2256 |
ALP-UNI-dbbfd3db-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2257 |
EN300-30768_3_1
|
|
C[C@@H]1C[C@@H]1C(=O)NCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2258 |
EN300-22880_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC[C@@H](C5)C(=O)N |
−9.9
± 0.3
|
7.2
± 0.2
|
2259 |
EN300-68740_1_1
|
|
CCCNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2260 |
EN300-313366_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC[NH+](C5)CC6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2261 |
EN300-158272_3_1
|
|
CC(=O)N1C[C@H](C[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC |
−9.9
± 0.3
|
7.2
± 0.2
|
2262 |
EN300-1722072_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5[C@H]([C@H]6O)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2263 |
EN300-04073_3_1
|
|
CC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2264 |
EN300-1588617_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5C#N |
−9.9
± 0.2
|
7.2
± 0.1
|
2265 |
EN300-6472558_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(nnc6CCO)C5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2266 |
EN300-7439284_3_1
|
|
COc1cn[nH]c1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2267 |
EN300-1068239_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cnon5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2268 |
EN300-6779469_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5[C@H]6[C@@H]5CS(=O)(=O)C6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2269 |
EN300-304771_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCN(C5=O)C6CC6 |
−9.9
± 0.4
|
7.2
± 0.3
|
2270 |
EN300-30397_1_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2271 |
EN300-325738_3_1
|
|
CN1[C@@H](CCCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2272 |
EN300-99064_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)c6c[nH]nc6 |
−9.9
± 0.4
|
7.2
± 0.3
|
2273 |
MIC-UNK-bcd487e9-3
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC3CCCC3)c4cccc(c4)Cl |
−9.9
± 0.4
|
7.2
± 0.3
|
2274 |
EN300-62574_4_1
|
|
Cn1c(nnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
7.2
± 0.3
|
2275 |
EN300-40947_3_2
|
|
C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C(C)C |
−9.9
± 0.7
|
7.2
± 0.5
|
2276 |
EN300-36096_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCNC5=O |
−9.9
± 0.4
|
7.2
± 0.3
|
2277 |
EN300-6504697_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CC6(CC6)S(=O)(=O)N5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2278 |
EN300-181492_3_2
|
|
C=C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2279 |
EN300-52382_1_1
|
|
CN(C)C(=O)Cn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2280 |
EN300-246486_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5coc(=O)[nH]5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2281 |
EN300-181558_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC(CC5)O)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2282 |
EN300-7432415_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C6(CCC6)OC(=O)N5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2283 |
EN300-52009_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2284 |
ED_-GRI-5b13fbe2-40
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CN)F |
−9.9
± 0.5
|
7.2
± 0.3
|
2285 |
EN300-7355519_1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@H]6[C@@H](O5)CCO6 |
−9.9
± 0.3
|
7.2
± 0.2
|
2286 |
EN300-1718675_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnnn5C6CC6 |
−9.9
± 0.3
|
7.2
± 0.3
|
2287 |
KAD-UNI-8a629cb0-38
|
|
CN1[C@@H](CCS1(=O)=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
7.2
± 0.1
|
2288 |
EN300-6238494_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@@H]5COCCO5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2289 |
EN300-83864_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)S(=O)(=O)N |
−9.9
± 0.4
|
7.2
± 0.3
|
2290 |
EN300-1086925_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5COC[C@@H]5n6cccn6 |
−9.9
± 0.4
|
7.2
± 0.3
|
2291 |
EN300-123398_1_1
|
|
CCOC(=O)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−9.9
± 0.2
|
7.2
± 0.2
|
2292 |
EN300-259062_1_2
|
|
CNC(=O)C[C@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2293 |
EN300-96037_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)O)O |
−9.9
± 0.3
|
7.2
± 0.2
|
2294 |
MIC-UNK-c66144cb-3
|
|
c1ccc2c(c1)cncc2NC(=O)C(CCC3CCCCC3)c4cccc(c4)Cl |
−9.9
± 0.2
|
7.2
± 0.2
|
2295 |
ALP-UNI-3496895b-5
|
|
CC1CN(CCC1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−9.9
± 0.2
|
7.2
± 0.2
|
2296 |
ED_-GRI-5b13fbe2-31
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCNC(=O)C5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2297 |
EN300-1664603_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5ccn[nH]5 |
−9.9
± 0.2
|
7.2
± 0.2
|
2298 |
ALF-EVA-0b412456-2
|
|
COc1ccc2cncc(c2c1)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 |
−9.9
± 0.3
|
7.2
± 0.2
|
2299 |
EN300-256762_1_1
|
|
Cc1c(c(=O)[nH]cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
7.2
± 0.2
|
2300 |
EN300-718785_1_2
|
|
CCN1[C@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
7.2
± 0.2
|