Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
5401 |
PET-UNK-3c72d439-1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccn3)Cl |
−7.53
± 0.09
|
5.48
± 0.07
|
5402 |
EN300-4254263_1_1
|
|
C[n+]1ccn2c1c(c[nH]2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.5
± 0.3
|
5.5
± 0.2
|
5403 |
EN300-315854_2_1
|
|
C[C@@]1(CCNC(=O)C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.2
|
5.5
± 0.2
|
5404 |
EN300-67073_1_2
|
|
CC(=O)N[C@](C)(C1CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.3
|
5.5
± 0.2
|
5405 |
NAU-LAT-2fed8305-5
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cs3)Cl |
−7.5
± 0.2
|
5.5
± 0.2
|
5406 |
KAD-UNI-8a629cb0-2
|
|
c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)CC(=O)NC[C@@]56OC[C@@](C5)(C6)C(=O)N)cc1 |
−7.5
± 0.4
|
5.5
± 0.3
|
5407 |
EN300-6473273_4_1
|
|
Cn1c(ccn1)[C@@H](C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.5
± 0.3
|
5.5
± 0.2
|
5408 |
RAL-THA-1d44ff04-3
|
|
CC(=O)NCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−7.5
± 0.3
|
5.5
± 0.3
|
5409 |
EN300-6503702_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CC[C@@H](C5)S(=O)(=O)CC6 |
−7.5
± 0.3
|
5.5
± 0.3
|
5410 |
EN300-126127_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(C6CC6)O |
−7.5
± 0.3
|
5.5
± 0.2
|
5411 |
EN300-1265946_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(CC5)C(=O)N |
−7.5
± 0.3
|
5.5
± 0.2
|
5412 |
ALP-POS-d3acb8cc-3
|
|
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.5
± 0.2
|
5.5
± 0.2
|
5413 |
EN300-1706036_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5C(=O)NCCO5 |
−7.5
± 0.3
|
5.5
± 0.2
|
5414 |
EN300-306692_2_1
|
|
CC(C)(C(=O)N(C)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.5
± 0.3
|
5.5
± 0.2
|
5415 |
EN300-49565_2_1
|
|
CS(=O)(=O)CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.5
± 0.3
|
5.5
± 0.2
|
5416 |
EN300-1722226_1_1
|
|
CCN1C[C@@](C1=O)(C)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.4
|
5.5
± 0.3
|
5417 |
RAL-THA-2d450e86-10
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)F |
−7.5
± 0.3
|
5.5
± 0.2
|
5418 |
EN300-2972220_2_1
|
|
CC(C)[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−7.5
± 0.3
|
5.5
± 0.2
|
5419 |
ED_-GRI-5b13fbe2-48
|
|
CC(CNCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−7.5
± 0.4
|
5.5
± 0.3
|
5420 |
VLA-UNK-f702bf1c-4
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CC6CC(=O)NC6 |
−7.5
± 0.3
|
5.5
± 0.2
|
5421 |
EN300-152913_3_1
|
|
CN(C)c1nc(on1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.2
|
5.5
± 0.2
|
5422 |
EDG-MED-90036822-9
|
|
CNCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.5
± 0.3
|
5.5
± 0.2
|
5423 |
MAT-POS-281d2ee9-1
|
|
CC(c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)C(=O)N |
−7.5
± 0.3
|
5.5
± 0.2
|
5424 |
EN300-172640_2_4
|
|
C[C@H]1[C@H](NC(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.2
|
5.5
± 0.2
|
5425 |
RAL-THA-05e671eb-9
|
|
Cc1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3cccc4 |
−7.48
± 0.09
|
5.45
± 0.06
|
5426 |
VLA-UCB-05e51b3f-1
|
|
CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 |
−7.5
± 0.5
|
5.4
± 0.3
|
5427 |
KAD-UNI-8a629cb0-15
|
|
CCN1CCN(CC1)C2CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.5
± 0.3
|
5.4
± 0.2
|
5428 |
EN300-1387145_1_3
|
|
CS(=O)(=O)[C@@H]1CCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.5
|
5.4
± 0.4
|
5429 |
MAT-POS-afd4d4fd-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3Cl)Cl |
−7.5
± 0.3
|
5.4
± 0.2
|
5430 |
EN300-36931_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CCOCC5)C(=O)N |
−7.5
± 0.3
|
5.4
± 0.2
|
5431 |
EN300-5638430_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CS(=O)(=O)C5 |
−7.5
± 0.4
|
5.4
± 0.3
|
5432 |
EN300-69553_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCn5cncn5 |
−7.5
± 0.3
|
5.4
± 0.2
|
5433 |
EN300-1700710_1_1
|
|
Cn1ccnc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.5
± 0.2
|
5.4
± 0.1
|
5434 |
DAR-DIA-0d514e7d-36
|
|
CC1([C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4)C |
−7.5
± 0.3
|
5.4
± 0.2
|
5435 |
EN300-31998_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]n5 |
−7.5
± 0.2
|
5.4
± 0.1
|
5436 |
EN300-6479892_1_1
|
|
CN1C(=O)COC12CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.5
± 0.3
|
5.4
± 0.2
|
5437 |
VLA-UCB-34f3ed0c-19
|
|
c1ccc2c(c1)cncc2N(C(=O)c3ccco3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−7.4
± 0.2
|
5.4
± 0.1
|
5438 |
EDJ-MED-92e193ae-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCNc4c3cc(cc4)Cl |
−7.4
± 0.2
|
5.4
± 0.2
|
5439 |
EN300-199359_2_1
|
|
CC(C)[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−7.4
± 0.2
|
5.4
± 0.1
|
5440 |
EN300-360157_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@@]5(CCOC5)O |
−7.4
± 0.4
|
5.4
± 0.3
|
5441 |
EN300-207451_1_1
|
|
CN(C)S(=O)(=O)[C@@H]1CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.3
|
5.4
± 0.2
|
5442 |
EN300-10336_1_2
|
|
c1ccc(cc1)C[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)NC(=O)N |
−7.4
± 0.3
|
5.4
± 0.2
|
5443 |
EN300-6735421_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5(C[NH+](C5)C6CC6)CO |
−7.4
± 0.5
|
5.4
± 0.3
|
5444 |
NAU-LAT-2fed8305-1
|
|
CC(C)(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−7.4
± 0.3
|
5.4
± 0.2
|
5445 |
EN300-264744_1_1
|
|
CC(C)([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−7.4
± 0.2
|
5.4
± 0.1
|
5446 |
RAL-THA-8416115c-3
|
|
CCN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−7.4
± 0.2
|
5.4
± 0.1
|
5447 |
EN300-1702677_1_1
|
|
CN1CC2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(C1=O)(F)F |
−7.4
± 0.3
|
5.4
± 0.2
|
5448 |
BEN-DND-c852c98b-3
|
|
CC(C)(c1ccc2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl)O |
−7.43
± 0.08
|
5.42
± 0.06
|
5449 |
MAT-POS-3b92565d-8
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cc(cc(c3)Cl)OC |
−7.4
± 0.3
|
5.4
± 0.2
|
5450 |
EDJ-MED-d203f206-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CO)O |
−7.4
± 0.5
|
5.4
± 0.3
|
5451 |
EN300-172640_2_3
|
|
C[C@@H]1[C@H](NC(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
5.4
± 0.2
|
5452 |
DAR-DIA-0d514e7d-23
|
|
C[C@H]1COc2c(cc(cc2N3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
5.4
± 0.1
|
5453 |
JOH-UNI-ee5ed7c8-11
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F |
−7.4
± 0.4
|
5.4
± 0.3
|
5454 |
EN300-7437779_2_1
|
|
Cn1c(=O)c(c[nH]1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.3
|
5.4
± 0.2
|
5455 |
EDJ-MED-d203f206-6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CS(=O)(=O)C[C@]6(C5)C#N |
−7.4
± 0.4
|
5.4
± 0.3
|
5456 |
ALF-EVA-5b152d2f-5
|
|
c1cc2c(cc1C3CCC3)cncc2NC(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−7.42
± 0.08
|
5.40
± 0.06
|
5457 |
RAL-THA-05e671eb-4
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)F |
−7.42
± 0.06
|
5.40
± 0.04
|
5458 |
EN300-111159_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cc(=O)[nH]n5)O |
−7.4
± 0.3
|
5.4
± 0.2
|
5459 |
EN300-35592_2_1
|
|
Cn1cc(cc1C(=O)N)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.3
|
5.4
± 0.2
|
5460 |
EN300-7352812_1_1
|
|
Cn1[cH+]c(c[nH]1)OC2(CC2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.4
± 0.3
|
5.4
± 0.2
|
5461 |
EN300-6335413_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]5C(=O)NCCO |
−7.4
± 0.3
|
5.4
± 0.2
|
5462 |
EN300-159633_2_2
|
|
C[C@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O |
−7.4
± 0.2
|
5.4
± 0.2
|
5463 |
EN300-190283_2_1
|
|
Cn1cncc1[C@@H](C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.4
± 0.4
|
5.4
± 0.3
|
5464 |
VLA-UNK-56836b69-5
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CC(=O)Nc5c4cc(c(c5)Cl)Cl)NC3=O |
−7.4
± 0.3
|
5.4
± 0.2
|
5465 |
PET-UNK-372a2f82-1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Cc4ccn[nH]4 |
−7.41
± 0.10
|
5.40
± 0.07
|
5466 |
EN300-761719_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](CO)O |
−7.4
± 0.4
|
5.4
± 0.3
|
5467 |
ALP-UNI-76695c4f-3
|
|
Cn1c(=O)c2c(cn1)CN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−7.4
± 0.3
|
5.4
± 0.2
|
5468 |
EN300-1722017_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)n6nccn6 |
−7.4
± 0.3
|
5.4
± 0.2
|
5469 |
RAL-THA-05e671eb-26
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ncc(c4)Cl |
−7.4
± 0.2
|
5.4
± 0.2
|
5470 |
EN300-180172_1_1
|
|
C[C@@](Cn1ccccc1=O)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.4
± 0.3
|
5.4
± 0.2
|
5471 |
EN300-66845_2_2
|
|
COC(=O)N1CCC[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.4
|
5.4
± 0.3
|
5472 |
EN300-1067786_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCNC(=O)C56CC6 |
−7.4
± 0.4
|
5.4
± 0.3
|
5473 |
VLA-UCB-1dbca3b4-6
|
|
c1ccc2c(c1)cncc2N3C(=O)CC(C3=O)c4cccc(c4)Cl |
−7.4
± 0.3
|
5.4
± 0.2
|
5474 |
EDJ-MED-40433386-2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N |
−7.4
± 0.3
|
5.4
± 0.2
|
5475 |
ED_-GRI-5b13fbe2-6
|
|
CN(C)CC(=O)NC[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−7.4
± 0.5
|
5.4
± 0.4
|
5476 |
MAK-UNK-c749d764-15
|
|
CC(N(c1cncc2c1cccc2)C(=O)CC3CCCC(C3O)C(F)F)OCC4CCCCC4 |
−7.4
± 0.2
|
5.4
± 0.2
|
5477 |
ALP-UNI-0676e700-16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]6CC[C@@H](C5)S6(=O)=O |
−7.4
± 0.3
|
5.4
± 0.2
|
5478 |
EN300-08063_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N5CCC(CC5)C(=O)N |
−7.4
± 0.3
|
5.4
± 0.2
|
5479 |
EN300-252961_2_4
|
|
COC[C@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.4
± 0.3
|
5.4
± 0.2
|
5480 |
RAL-THA-2d450e86-20
|
|
Cc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−7.4
± 0.3
|
5.4
± 0.2
|
5481 |
EN300-06654_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cncn5 |
−7.4
± 0.2
|
5.4
± 0.1
|
5482 |
EN300-08033_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCS(=O)(=O)C5 |
−7.4
± 0.3
|
5.4
± 0.2
|
5483 |
EN300-132141_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c(nc[nH]c6=O)C5 |
−7.4
± 0.3
|
5.4
± 0.2
|
5484 |
EN300-98648_4_2
|
|
CN1CC[C@H](C1=O)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
5.4
± 0.2
|
5485 |
EN300-1440321_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCC5)S(=O)(=O)N |
−7.4
± 0.4
|
5.4
± 0.3
|
5486 |
EN300-83691_2_1
|
|
Cc1c(n[nH]n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
5.4
± 0.2
|
5487 |
EN300-818706_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6C[C@H]5C(=O)N6 |
−7.4
± 0.3
|
5.4
± 0.2
|
5488 |
EN300-7444533_2_3
|
|
C[C@@H]1C[C@H](C(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.4
± 0.2
|
5.4
± 0.1
|
5489 |
MIC-UNK-cdc2493e-23
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCn3cnnc3)c4cccc(c4)Cl |
−7.4
± 0.4
|
5.4
± 0.3
|
5490 |
EN300-367351_1_1
|
|
Cn1c(cnn1)C2(CN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)O |
−7.4
± 0.4
|
5.4
± 0.3
|
5491 |
ALP-POS-2da19ca7-8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC(CC(=O)N)C5CCOCC5 |
−7.4
± 0.2
|
5.4
± 0.2
|
5492 |
MAT-POS-bbbbc21a-2
|
|
c1ccc2c(c1)cncc2NC(=O)C3COc4c3cc(cc4)Cl |
−7.4
± 0.1
|
5.4
± 0.1
|
5493 |
EN300-248888_4_2
|
|
C[C@](C=C)(C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−7.3
± 0.4
|
5.4
± 0.3
|
5494 |
MAT-POS-afd4d4fd-1
|
|
Cc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−7.3
± 0.2
|
5.4
± 0.2
|
5495 |
ALP-UNI-0676e700-4
|
|
Cc1nc(on1)COCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−7.3
± 0.2
|
5.3
± 0.1
|
5496 |
EN300-264744_3_1
|
|
CC(C)([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−7.3
± 0.2
|
5.3
± 0.1
|
5497 |
EN300-118760_1_2
|
|
C[C@](C1CC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−7.3
± 0.2
|
5.3
± 0.2
|
5498 |
EN300-39033_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)c5ccncc5 |
−7.3
± 0.3
|
5.3
± 0.2
|
5499 |
EN300-52009_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCC5)O |
−7.3
± 0.2
|
5.3
± 0.1
|
5500 |
EDG-MED-ba1ac7b9-12
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5c6[nH]nnn6 |
−7.3
± 0.3
|
5.3
± 0.2
|