Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
3201 |
EN300-51028_3_1
|
|
CC(C)S(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.3
|
3202 |
EN300-70489_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H](C5)C#N |
−9.3
± 0.3
|
6.8
± 0.2
|
3203 |
EN300-65050_1_1
|
|
CC(C)(CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3204 |
EN300-363154_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc([nH]c5=O)CC6CC6 |
−9.3
± 0.4
|
6.8
± 0.3
|
3205 |
EN300-203293_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CNC(=O)O5 |
−9.3
± 0.3
|
6.8
± 0.3
|
3206 |
EN300-139167_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5COCCO5 |
−9.3
± 0.2
|
6.8
± 0.1
|
3207 |
EN300-6745581_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nncn5C6CC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3208 |
ALP-UNI-0676e700-30
|
|
CN1CCC(CC1)OCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3209 |
ALP-UNI-3496895b-8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)CCCO |
−9.3
± 0.3
|
6.8
± 0.2
|
3210 |
EN300-7463275_1_1
|
|
C[C@@H]([C@@H]1C[C@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3211 |
EN300-31148_3_1
|
|
CCC(=O)N[C@@H](C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3212 |
EN300-70489_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)C#N |
−9.3
± 0.3
|
6.8
± 0.2
|
3213 |
EN300-200609_1_1
|
|
CS(=O)(=O)[C@@H]1CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3214 |
EN300-122656_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−9.3
± 0.4
|
6.8
± 0.3
|
3215 |
EN300-44149_3_1
|
|
Cn1c2c(cn1)c(=O)[nH]c(n2)COCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3216 |
EN300-23223_2_1
|
|
CNC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3217 |
EN300-266117_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)O |
−9.3
± 0.3
|
6.8
± 0.3
|
3218 |
EN300-6482296_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CO[C@@H]6[C@@H]5COC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3219 |
EN300-185378_2_2
|
|
C[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.2
|
6.8
± 0.2
|
3220 |
EN300-226314_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@@H]5CCS(=O)(=O)C5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3221 |
EN300-71125_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6cnnc6C5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3222 |
BEN-DND-c852c98b-6_1
|
|
c1cc2cncc(c2cc1OC(F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.32
± 0.07
|
6.79
± 0.05
|
3223 |
EN300-123205_1_1
|
|
CNS(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3224 |
EN300-1265948_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCS(=O)(=O)CC5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3225 |
EN300-90293_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(n[nH]n6)C5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3226 |
DAR-DIA-0d514e7d-24_1
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)CC(C)C |
−9.3
± 0.2
|
6.8
± 0.1
|
3227 |
EDG-MED-4c68219f-5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCN5CC6(C5)COC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3228 |
EN300-299390_2_1
|
|
COCC1[NH2+]C(NN1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.7
|
6.8
± 0.5
|
3229 |
EN300-35450_2_1
|
|
CC(C)N(CC(=O)N)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3230 |
EN300-217494_2_2
|
|
C[C@]([C@@H]1CCOC1)(C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3231 |
EN300-260696_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H]([C@@H]5n6cccn6)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3232 |
EN300-1268016_2_11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5C[C@H]6[C@@H]5C[C@H](C6)C(=O)N |
−9.3
± 0.3
|
6.8
± 0.3
|
3233 |
EN300-23318_3_3
|
|
C[C@@H](C(=O)N[C@H]1CCS(=O)(=O)C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3234 |
EN300-1266218_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(=O)[nH]cnc6n[nH]5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3235 |
EN300-24297_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5csnn5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3236 |
EN300-96159_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5[nH]ncn5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3237 |
EDJ-MED-e4b030d8-13
|
|
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.31
± 0.07
|
6.78
± 0.05
|
3238 |
EN300-172870_2_1
|
|
COc1cncc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3239 |
EN300-6504714_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6[C@H]([C@H]5CO6)O |
−9.3
± 0.2
|
6.8
± 0.2
|
3240 |
EN300-7089802_1_1
|
|
C[C@@H]([C@@H](C)O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3241 |
EN300-210089_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@@H]5COC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3242 |
EN300-31969_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CC(=O)N(C5)CC6CC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3243 |
JOH-UNI-ee5ed7c8-3
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)CC(F)(F)F |
−9.3
± 0.2
|
6.8
± 0.2
|
3244 |
EN300-18564_1_1
|
|
CC(=O)NCCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3245 |
EN300-1663228_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5COC[C@@H]5CO |
−9.3
± 0.3
|
6.8
± 0.2
|
3246 |
EN300-305454_1_1
|
|
Cn1cc(cn1)[C@@H]2CCO[C@@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3247 |
EN300-325738_3_2
|
|
CN1[C@H](CCCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3248 |
JAG-UCB-706446eb-5_1
|
|
COCCN([C@@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.5
|
6.8
± 0.3
|
3249 |
EN300-316196_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)[C@@H]6CC[C@H]6O |
−9.3
± 0.3
|
6.8
± 0.3
|
3250 |
EN300-1068239_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cnon5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3251 |
EN300-131093_1_2
|
|
C[C@H](C(=O)NCC(=O)C)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3252 |
EN300-23223_1_1
|
|
CNC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3253 |
EN300-7426383_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c(ccn5)n[nH]n6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3254 |
MAT-POS-23a8a11a-1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(c(c3)Cl)Cl |
−9.30
± 0.09
|
6.78
± 0.07
|
3255 |
EN300-5253939_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)O5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3256 |
EN300-6497226_1_1
|
|
C[C@@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.1
|
6.8
± 0.1
|
3257 |
EN300-08063_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC(CC5)C(=O)N |
−9.3
± 0.4
|
6.8
± 0.3
|
3258 |
EN300-96362_3_1
|
|
C[C@@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C5CC5)O |
−9.3
± 0.6
|
6.8
± 0.4
|
3259 |
EN300-7431365_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(c5)CCCNC6=O |
−9.3
± 0.3
|
6.8
± 0.2
|
3260 |
EN300-71560_3_1
|
|
COC(=O)NCCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.4
|
6.8
± 0.3
|
3261 |
EN300-29228_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6c(cnn6)C5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3262 |
ALP-UNI-76695c4f-6
|
|
CC(=O)N1CC2CC1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3263 |
EN300-69556_3_1
|
|
Cc1ccc(=O)n(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3264 |
EN300-188341_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(cn5)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3265 |
EN300-10170_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H](CO)NC(=O)N |
−9.3
± 0.4
|
6.8
± 0.3
|
3266 |
EN300-124904_1_1
|
|
Cn1c(nnn1)CCNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3267 |
EN300-100583_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)O |
−9.3
± 0.2
|
6.8
± 0.2
|
3268 |
EN300-76841_1_1
|
|
C[C@@](COC)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3269 |
EN300-05277_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCC(=O)N5CCOCC5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3270 |
EN300-190283_1_1
|
|
Cn1cncc1[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.3
± 0.4
|
6.8
± 0.3
|
3271 |
EDG-MED-ba1ac7b9-28
|
|
CN(CCO)C1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.6
|
6.8
± 0.5
|
3272 |
EN300-173562_2_2
|
|
C[C@H]1C[C@@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.3
± 0.2
|
6.8
± 0.1
|
3273 |
EN300-224741_3_2
|
|
CC[C@H](CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3274 |
EN300-155362_3_2
|
|
C[C@H]1CC(=O)N[C@@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3275 |
EN300-99983_1_1
|
|
CNC(=O)Cc1nc(on1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3276 |
EN300-6731226_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@H]5CC(=O)NC6 |
−9.3
± 0.4
|
6.8
± 0.3
|
3277 |
EN300-35592_3_1
|
|
Cn1cc(cc1C(=O)N)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.2
|
6.8
± 0.2
|
3278 |
KAD-UNI-8a629cb0-44
|
|
CS(=O)(=O)N1CC[C@@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3279 |
EN300-23221_1_1
|
|
CC(C)NC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3280 |
EDJ-MED-4c7486ba-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCCN5CC(F)(F)F |
−9.3
± 0.4
|
6.8
± 0.3
|
3281 |
VLA-UCB-1dbca3b4-16
|
|
c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc4OCC3=O)Cl |
−9.3
± 0.2
|
6.8
± 0.1
|
3282 |
EN300-1968342_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CF)O |
−9.3
± 0.2
|
6.8
± 0.1
|
3283 |
EN300-88819_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(on5)CCOC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3284 |
EN300-171215_1_1
|
|
C[C@@H]1CS(=O)(=O)CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.2
|
6.8
± 0.1
|
3285 |
MAT-POS-e9e99895-3
|
|
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC(=O)NC4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3286 |
KAD-UNI-8a629cb0-12
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6nccn6C5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3287 |
EN300-216063_1_1
|
|
CN(C)C(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.1
|
6.76
± 0.09
|
3288 |
EN300-100768_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@H](C5)CNC(=O)C6=O |
−9.3
± 0.3
|
6.8
± 0.2
|
3289 |
EN300-25572_1_2
|
|
C[C@H]1CN(CCO1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.2
|
6.8
± 0.2
|
3290 |
EN300-203306_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)(C(=O)N)O |
−9.3
± 0.4
|
6.8
± 0.3
|
3291 |
EN300-172640_1_1
|
|
C[C@@H]1[C@@H](NC(=O)O1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.2
|
6.8
± 0.2
|
3292 |
EN300-222620_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc(cnc5)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3293 |
JOH-UNI-ee5ed7c8-8
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)C#N |
−9.3
± 0.3
|
6.8
± 0.2
|
3294 |
EN300-37077_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn[nH]5 |
−9.3
± 0.2
|
6.8
± 0.1
|
3295 |
EN300-5253939_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)O5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3296 |
EN300-270710_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)N |
−9.3
± 0.4
|
6.8
± 0.3
|
3297 |
EN300-95639_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)O)CO |
−9.3
± 0.4
|
6.8
± 0.3
|
3298 |
EN300-120920_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCC(=O)NC5=O |
−9.3
± 0.3
|
6.7
± 0.2
|
3299 |
EN300-7534935_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CCC(=O)O6 |
−9.3
± 0.2
|
6.7
± 0.2
|
3300 |
EN300-77359_3_2
|
|
C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OCCOC |
−9.3
± 0.3
|
6.7
± 0.2
|