Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
3301 |
EN300-117931_1_1
|
|
CC(C)(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.2
|
6.7
± 0.2
|
3302 |
EDJ-MED-fcba3f31-10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5[nH]c(=O)[nH]n5 |
−9.3
± 0.2
|
6.7
± 0.2
|
3303 |
EN300-124457_2_1
|
|
C[NH+](C)Cc1cc(no1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3304 |
EN300-1272865_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@]6(CC[C@]6(C5)CO)CO |
−9.3
± 0.3
|
6.7
± 0.2
|
3305 |
EN300-101197_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5[nH]ncn5 |
−9.3
± 0.4
|
6.7
± 0.3
|
3306 |
EN300-233079_1_1
|
|
Cc1cnn(c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−9.3
± 0.2
|
6.7
± 0.2
|
3307 |
EN300-42243_3_1
|
|
CC(C)CS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.4
|
6.7
± 0.3
|
3308 |
EN300-233678_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)CO)O |
−9.3
± 0.3
|
6.7
± 0.2
|
3309 |
EN300-7385329_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5Cc6[nH]cc[n+]6C5 |
−9.3
± 0.2
|
6.7
± 0.2
|
3310 |
EN300-1699871_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCS(=O)(=O)N5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3311 |
ED_-GRI-5b13fbe2-75
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCn5cc(cn5)NC6CC6 |
−9.3
± 0.3
|
6.7
± 0.2
|
3312 |
EN300-817811_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cc(=O)[nH]cn5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3313 |
EN300-114082_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)C#N |
−9.3
± 0.2
|
6.7
± 0.1
|
3314 |
EN300-25865_1_1
|
|
Cn1c2c(cn1)c(=O)n(cn2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.3
± 0.3
|
6.7
± 0.2
|
3315 |
EN300-7457159_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5cc(on5)C6(COC6)O |
−9.3
± 0.3
|
6.7
± 0.2
|
3316 |
EDJ-MED-ee07cf00-6
|
|
Cn1cc(cn1)C2=NOC(C2)C(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.7
± 0.3
|
3317 |
ALP-POS-477dc5b7-3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CC5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3318 |
EN300-48902_1_1
|
|
CNC(=O)[C@@H]1CCCN1C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3319 |
EN300-07879_4_1
|
|
CSCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.7
± 0.2
|
3320 |
EN300-741926_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)F)O |
−9.3
± 0.3
|
6.7
± 0.2
|
3321 |
EN300-189563_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC5CS(=O)(=O)C5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3322 |
EN300-332606_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCC(=O)O5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3323 |
EN300-1214616_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N([C@@H]5COC[C@H]5O)C6CC6 |
−9.3
± 0.2
|
6.7
± 0.2
|
3324 |
EN300-7413100_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CCO |
−9.3
± 0.3
|
6.7
± 0.2
|
3325 |
EN300-1273362_2_2
|
|
C[C@]1(CN(C1=O)C)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3326 |
EN300-90225_4_1
|
|
Cn1nc(nn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.7
± 0.2
|
3327 |
EN300-7466671_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CCO[C@]6(C5)CO |
−9.3
± 0.4
|
6.7
± 0.3
|
3328 |
EN300-1703340_1_1
|
|
Cc1cc(cn(c1=O)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3329 |
EN300-249421_1_2
|
|
C[C@H]([C@@H]1CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.2
|
6.7
± 0.2
|
3330 |
EN300-60514_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(cn5)S(=O)(=O)N |
−9.2
± 0.4
|
6.7
± 0.3
|
3331 |
EN300-1724086_1_3
|
|
C[C@@H]1C[C@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N |
−9.2
± 0.3
|
6.7
± 0.3
|
3332 |
EN300-31037_1_1
|
|
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CO[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.2
± 0.3
|
6.7
± 0.2
|
3333 |
EN300-181492_4_1
|
|
C=C[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.2
± 0.4
|
6.7
± 0.3
|
3334 |
EN300-05754_2_2
|
|
C[C@H](C(=O)N1CCOCC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3335 |
EN300-1425677_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)CO |
−9.2
± 0.3
|
6.7
± 0.2
|
3336 |
EN300-63872_1_1
|
|
Cn1cc(cn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3337 |
EN300-36622_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5ccccc5=O |
−9.2
± 0.3
|
6.7
± 0.2
|
3338 |
EN300-126104_3_1
|
|
Cc1cccn(c1=O)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3339 |
EN300-301721_1_2
|
|
C[C@H](C1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.2
± 0.3
|
6.7
± 0.2
|
3340 |
EN300-190283_3_2
|
|
Cn1[cH+][nH]cc1[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.2
± 0.5
|
6.7
± 0.3
|
3341 |
EN300-27341_1_1
|
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3342 |
EN300-10397_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)N |
−9.2
± 0.2
|
6.7
± 0.2
|
3343 |
EN300-92664_3_1
|
|
COCCn1c(ccn1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3344 |
EN300-6474220_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CCn5ccnn5)(F)F |
−9.2
± 0.3
|
6.7
± 0.2
|
3345 |
EN300-36522_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)C5CC5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3346 |
ALP-UNI-3496895b-3
|
|
CC(=O)N1CC2CC1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.2
± 0.3
|
6.7
± 0.2
|
3347 |
EN300-746187_2_1
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.2
± 0.3
|
6.7
± 0.2
|
3348 |
EN300-77778_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS(=O)(=O)C5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3349 |
EN300-307333_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCNC5=O |
−9.2
± 0.2
|
6.7
± 0.2
|
3350 |
RAL-THA-2d450e86-18
|
|
COc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−9.2
± 0.3
|
6.7
± 0.2
|
3351 |
EN300-91905_4_1
|
|
C[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.2
± 0.4
|
6.7
± 0.3
|
3352 |
ADA-UCB-dc2b944c-10
|
|
Cc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.23
± 0.09
|
6.73
± 0.07
|
3353 |
ED_-GRI-5b13fbe2-39
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CNC(=O)N5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3354 |
EN300-181178_1_1
|
|
Cc1cc(=O)n2c(n1)c(c[nH]2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.2
± 0.3
|
6.7
± 0.2
|
3355 |
EN300-7439043_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cc([nH]n5)CO |
−9.2
± 0.2
|
6.7
± 0.2
|
3356 |
EN300-6762327_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](Cc5ccccn5)O |
−9.2
± 0.3
|
6.7
± 0.2
|
3357 |
EN300-132613_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(scn5)S(=O)(=O)N |
−9.2
± 0.3
|
6.7
± 0.2
|
3358 |
EN300-117685_2_1
|
|
C[C@H](CCO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.2
± 0.3
|
6.7
± 0.2
|
3359 |
ALF-EVA-0b412456-7
|
|
c1cc2c(cc1OCC3CC3)cncc2NC(=O)Cc4cc(cc(c4)Cl)OC5CC(=O)N5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3360 |
EN300-60314_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CCC[C@H]5O |
−9.2
± 0.2
|
6.7
± 0.1
|
3361 |
EN300-2853791_1_1
|
|
CN(C)C(=O)c1cn(nn1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3362 |
EN300-100916_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5NC=CN5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3363 |
EN300-67573_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NC5CCOCC5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3364 |
EN300-7353672_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](CC5)O)CO |
−9.2
± 0.3
|
6.7
± 0.2
|
3365 |
EN300-192809_3_2
|
|
Cn1cncc1[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)[NH+](C)C |
−9.2
± 0.5
|
6.7
± 0.4
|
3366 |
EN300-120920_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5CCC(=O)NC5=O |
−9.2
± 0.2
|
6.7
± 0.2
|
3367 |
EN300-13668_2_1
|
|
CN(CC(=O)NC1CC1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3368 |
EN300-220527_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5[nH]ccn5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3369 |
EN300-112872_3_1
|
|
CC(C)(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−9.2
± 0.4
|
6.7
± 0.3
|
3370 |
EN300-53591_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)NC(=O)N |
−9.2
± 0.3
|
6.7
± 0.2
|
3371 |
ED_-GRI-5b13fbe2-17
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](c5cn(nn5)CC6CC6)N |
−9.2
± 0.4
|
6.7
± 0.3
|
3372 |
EN300-218288_1_1
|
|
Cn1c(c(nn1)Br)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.2
|
6.7
± 0.2
|
3373 |
EN300-52768_3_1
|
|
CCCS(=O)(=O)[C@@H](C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.2
± 0.4
|
6.7
± 0.3
|
3374 |
EDJ-MED-d203f206-10
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC6(C5)[C@@H](C[C@@H]6O)O |
−9.2
± 0.4
|
6.7
± 0.3
|
3375 |
EN300-385132_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5[NH2+]C(NN5)C6CCOCC6 |
−9.2
± 0.9
|
6.7
± 0.7
|
3376 |
EN300-249421_2_2
|
|
C[C@H]([C@@H]1CCC(=O)N1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.3
|
3377 |
EN300-19762_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)CCO |
−9.2
± 0.4
|
6.7
± 0.3
|
3378 |
EN300-14458_1_2
|
|
C[C@H](C(=O)N(C)C)O[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.2
± 0.2
|
6.7
± 0.2
|
3379 |
MAT-POS-3b92565d-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 |
−9.2
± 0.4
|
6.7
± 0.3
|
3380 |
EN300-1653482_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCN6C(C5)NNN6 |
−9.2
± 0.4
|
6.7
± 0.3
|
3381 |
EN300-7442191_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(C[NH+]6CCC5CC6)O |
−9.2
± 0.4
|
6.7
± 0.3
|
3382 |
EN300-53591_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCC(CC5)NC(=O)N |
−9.2
± 0.3
|
6.7
± 0.2
|
3383 |
EDG-MED-90036822-63
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(F)F |
−9.2
± 0.2
|
6.7
± 0.1
|
3384 |
ED_-GRI-5b13fbe2-4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](c5[nH]nnn5)N |
−9.2
± 0.3
|
6.7
± 0.2
|
3385 |
EN300-399606_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@@H]6O |
−9.2
± 0.2
|
6.7
± 0.2
|
3386 |
EN300-1600517_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H](CO)F |
−9.2
± 0.3
|
6.7
± 0.2
|
3387 |
EN300-143449_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCN(=O)=O |
−9.2
± 0.3
|
6.7
± 0.2
|
3388 |
EN300-86732_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)[C@@H]5CCCO5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3389 |
EN300-315836_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]ccn5 |
−9.2
± 0.2
|
6.7
± 0.2
|
3390 |
DAR-DIA-0d514e7d-1_1
|
|
C[C@H]1COc2c(cc(cc2OC)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 |
−9.2
± 0.1
|
6.71
± 0.09
|
3391 |
EN300-1709315_3_1
|
|
C[C@@]1(CCCNS1(=O)=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.3
|
6.7
± 0.2
|
3392 |
EN300-365650_1_1
|
|
C[C@@H](C1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.2
± 0.2
|
6.7
± 0.2
|
3393 |
EN300-7354033_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)S(=O)(=O)C6 |
−9.2
± 0.2
|
6.7
± 0.2
|
3394 |
EN300-53656_1_2
|
|
C[C@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)CO |
−9.2
± 0.3
|
6.7
± 0.2
|
3395 |
EN300-233951_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H](C5)O |
−9.2
± 0.2
|
6.7
± 0.1
|
3396 |
MIC-UNK-bcd487e9-7
|
|
c1ccc2c(c1)cncc2NC(=O)N(Cc3c[nH]nn3)c4cccc(c4)Cl |
−9.2
± 0.4
|
6.7
± 0.3
|
3397 |
EN300-67791_1_1
|
|
CC(C)[C@@H]1C(=O)NCCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.2
± 0.4
|
6.7
± 0.3
|
3398 |
EN300-217499_1_1
|
|
C[C@@](C1CCOCC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.2
± 0.2
|
6.7
± 0.2
|
3399 |
EN300-151411_1_1
|
|
CCn1c(c(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−9.2
± 0.3
|
6.7
± 0.2
|
3400 |
EN300-109920_1_3
|
|
C[C@@H]1CO[C@H](CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO |
−9.2
± 0.6
|
6.7
± 0.4
|