Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
4801 |
EN300-6488240_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5nncs5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4802 |
BEN-DND-f2e727cd-6
|
|
CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl |
−8.3
± 0.2
|
6.0
± 0.2
|
4803 |
EN300-6494361_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CNC(=O)O6 |
−8.3
± 0.2
|
6.0
± 0.1
|
4804 |
RAL-THA-4aa06b95-7
|
|
COCCN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.3
± 0.2
|
6.0
± 0.1
|
4805 |
EN300-113507_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C(=O)N |
−8.3
± 0.3
|
6.0
± 0.2
|
4806 |
EN300-74306_2_1
|
|
C[C@@](CCOC)(CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.3
± 0.2
|
6.0
± 0.2
|
4807 |
EN300-62192_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(=O)NC(=O)C5 |
−8.3
± 0.3
|
6.0
± 0.2
|
4808 |
EN300-386200_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC[C@H]([C@H](CC5)O)O |
−8.3
± 0.3
|
6.0
± 0.2
|
4809 |
ED_-GRI-5b13fbe2-45
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(Cc5cn(nn5)CC6CC6)N |
−8.3
± 0.3
|
6.0
± 0.2
|
4810 |
EN300-7438575_2_2
|
|
C[C@H](C1[C@H]2COC[C@H]2ON1)NC(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.3
± 0.3
|
6.0
± 0.2
|
4811 |
ALP-POS-e0fe77e5-13
|
|
c1ccc2c(c1)cncc2N3CCCC4(C3=O)CCNc5c4cc(cc5)Cl |
−8.3
± 0.2
|
6.0
± 0.2
|
4812 |
EN300-217499_1_2
|
|
C[C@](C1CCOCC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4813 |
MAT-POS-11b63608-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Br |
−8.25
± 0.05
|
6.01
± 0.04
|
4814 |
EN300-80522_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC[C@@H]5CCOC5 |
−8.2
± 0.2
|
6.0
± 0.2
|
4815 |
RAL-THA-05e671eb-19
|
|
COc1cc(cc2c1OCCC2C(=O)Nc3cncc4c3cccc4)Cl |
−8.24
± 0.09
|
6.01
± 0.07
|
4816 |
EN300-48886_2_1
|
|
CC(=O)N[C@@H]1CCCN(C1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4817 |
EN300-36158_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COCCO5 |
−8.2
± 0.2
|
6.0
± 0.2
|
4818 |
EN300-152337_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC(=O)NCC5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4819 |
EN300-31210_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−8.2
± 0.5
|
6.0
± 0.4
|
4820 |
EN300-817873_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C5)COCCO6 |
−8.2
± 0.3
|
6.0
± 0.2
|
4821 |
EN300-1608240_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(=O)N6[C@H]5COCC6 |
−8.2
± 0.4
|
6.0
± 0.3
|
4822 |
EN300-93474_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5C[C@H](C=C5)CO |
−8.2
± 0.3
|
6.0
± 0.2
|
4823 |
EN300-7550802_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5CN6C(=O)N |
−8.2
± 0.3
|
6.0
± 0.2
|
4824 |
EN300-23129_2_1
|
|
CC(=O)NCCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4825 |
EN300-254908_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCOCC5)n6cnnn6 |
−8.2
± 0.4
|
6.0
± 0.3
|
4826 |
RAL-THA-2d450e86-12
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C#N |
−8.2
± 0.3
|
6.0
± 0.2
|
4827 |
MIC-UNK-bcd487e9-10
|
|
Cn1cnc(n1)CN(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.5
|
6.0
± 0.4
|
4828 |
EN300-624143_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC56CC(C6)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4829 |
EN300-23214_2_1
|
|
CCCNC(=O)[C@@H](C)NC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4830 |
MAT-POS-fce787c2-1
|
|
CCOc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−8.2
± 0.3
|
6.0
± 0.2
|
4831 |
EN300-87528_1_1
|
|
CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−8.2
± 0.3
|
6.0
± 0.2
|
4832 |
ALP-POS-869ac754-1
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4)Cl)Cl |
−8.23
± 0.08
|
5.99
± 0.06
|
4833 |
KAD-UNI-8a629cb0-30
|
|
C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.2
|
6.0
± 0.1
|
4834 |
EN300-30572_3_1
|
|
CS(=O)(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.4
|
6.0
± 0.3
|
4835 |
EN300-39504_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCS(=O)(=O)N |
−8.2
± 0.4
|
6.0
± 0.3
|
4836 |
EN300-227055_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CC(=O)NC5=O |
−8.2
± 0.3
|
6.0
± 0.2
|
4837 |
EN300-1268016_2_2
|
|
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 |
−8.2
± 0.3
|
6.0
± 0.2
|
4838 |
EN300-102988_1_1
|
|
CCOC(=O)C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.2
± 0.4
|
6.0
± 0.3
|
4839 |
EN300-1655797_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)O)F |
−8.2
± 0.3
|
6.0
± 0.2
|
4840 |
PET-UNK-c5865d42-2
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C(C4CCN4)(F)F |
−8.2
± 0.3
|
6.0
± 0.2
|
4841 |
EN300-233951_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@@H](C5)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4842 |
EN300-55072_2_1
|
|
C[C@@H](CO)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4843 |
EN300-1260794_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@]5(CCSC5)CO |
−8.2
± 0.5
|
6.0
± 0.3
|
4844 |
ALP-UNI-0676e700-27
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6cncn6c(=O)[nH]5 |
−8.2
± 0.3
|
6.0
± 0.3
|
4845 |
EN300-746852_1_1
|
|
C[C@@]1(COCCO1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4846 |
MIC-UNK-50cce87d-4
|
|
COc1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl |
−8.2
± 0.3
|
6.0
± 0.2
|
4847 |
EN300-109920_2_3
|
|
C[C@@H]1CO[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO |
−8.2
± 0.5
|
6.0
± 0.3
|
4848 |
EN300-1688974_2_1
|
|
C[C@@H](CC(=O)N)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4849 |
EDG-MED-90036822-61
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCC5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4850 |
EDG-MED-90036822-55
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nc5)N6CC(C6)N |
−8.2
± 0.3
|
6.0
± 0.2
|
4851 |
EN300-6498888_1_2
|
|
C[C@H](COC1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.2
± 0.4
|
6.0
± 0.3
|
4852 |
EN300-7444533_2_4
|
|
C[C@H]1C[C@H](C(=O)O1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.2
|
6.0
± 0.2
|
4853 |
EN300-1705754_2_1
|
|
CC1(CS(=O)(=O)C1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4854 |
EN300-3143295_3_1
|
|
Cn1cnnc1[C@@H]2CC[C@@H]2C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.2
± 0.4
|
6.0
± 0.3
|
4855 |
EN300-129424_1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CC[C@H]5O |
−8.2
± 0.3
|
6.0
± 0.2
|
4856 |
EN300-7543132_1_1
|
|
C[NH+](C)CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.2
|
6.0
± 0.2
|
4857 |
MAT-POS-bbbbc21a-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3OCC4)Cl |
−8.20
± 0.09
|
5.98
± 0.07
|
4858 |
EDG-MED-90036822-106
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(CCN)(F)F |
−8.2
± 0.5
|
6.0
± 0.4
|
4859 |
EN300-08259_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCCCN5CCCC5=O |
−8.2
± 0.3
|
6.0
± 0.2
|
4860 |
EN300-257949_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@H]5O |
−8.2
± 0.3
|
6.0
± 0.2
|
4861 |
EN300-261986_4_1
|
|
CS(=O)(=O)[N@@]1CC[C@@H](C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.4
|
6.0
± 0.3
|
4862 |
EN300-367405_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)n6ccnn6 |
−8.2
± 0.3
|
6.0
± 0.2
|
4863 |
EN300-173562_2_1
|
|
C[C@@H]1C[C@@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4864 |
EN300-31242_1_1
|
|
COCC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4865 |
EN300-210089_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5[C@H]6[C@@H]5COC6 |
−8.2
± 0.3
|
6.0
± 0.2
|
4866 |
EN300-83434_2_2
|
|
C[C@H]([C@@H](C)S(=O)(=O)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4867 |
EN300-1709315_1_1
|
|
C[C@@]1(CCCNS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4868 |
PET-UNK-c9c1e0d8-1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Br |
−8.2
± 0.3
|
6.0
± 0.2
|
4869 |
JOH-SUS-a69c159d-1
|
|
Cc1c2ccccc2c(cn1)NC(=O)C3CCOc4c3cc(cc4)Cl |
−8.19
± 0.08
|
5.97
± 0.06
|
4870 |
EN300-18557_3_1
|
|
CC(=O)N1CCC(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4871 |
EN300-67023_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)C[C@H]5CCCO5 |
−8.2
± 0.5
|
6.0
± 0.4
|
4872 |
EN300-137255_1_2
|
|
CO[C@]1(CCOC1)CNC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4873 |
EN300-1911992_4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]([C@H]5CCOC5)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4874 |
EN300-83434_2_1
|
|
C[C@@H]([C@@H](C)S(=O)(=O)C)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4875 |
BEN-DND-f2e727cd-5
|
|
c1ccc2c(c1)cncc2NC(=O)C3CNCc4c3cc(cc4)Cl |
−8.2
± 0.3
|
6.0
± 0.2
|
4876 |
EDG-MED-90036822-2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN |
−8.2
± 0.2
|
6.0
± 0.1
|
4877 |
EN300-2007620_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](OCC5)CO |
−8.2
± 0.3
|
6.0
± 0.2
|
4878 |
ALP-UNI-dbbfd3db-14
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccc(cc5)C#N |
−8.2
± 0.3
|
6.0
± 0.2
|
4879 |
DAR-DIA-23e5a6a0-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CC5CC6(N5)CCC6)Cl |
−8.2
± 0.2
|
6.0
± 0.2
|
4880 |
EN300-6503811_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](Cc5cnc[nH]5)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4881 |
EN300-50194_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCn5cccn5 |
−8.2
± 0.3
|
6.0
± 0.2
|
4882 |
EN300-80083_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCCC(=O)N5 |
−8.2
± 0.4
|
6.0
± 0.3
|
4883 |
EN300-244909_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCOCC5)CO |
−8.2
± 0.3
|
6.0
± 0.2
|
4884 |
EN300-1238839_3_1
|
|
CS(=O)(=O)NCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.2
|
6.0
± 0.2
|
4885 |
EN300-51961_1_2
|
|
CC[C@H](C)C(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.3
|
6.0
± 0.2
|
4886 |
EN300-195743_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CCO)CO |
−8.2
± 0.3
|
6.0
± 0.2
|
4887 |
EN300-103144_4_2
|
|
CSCC[C@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.2
± 0.3
|
6.0
± 0.2
|
4888 |
JOH-UNI-3fc3434e-11
|
|
c1ccc2c(c1)cnc(c2NC(=O)Cc3cccc(c3)Cl)CC(F)(F)F |
−8.2
± 0.4
|
6.0
± 0.3
|
4889 |
EDG-MED-ba1ac7b9-32
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOCC6 |
−8.2
± 0.3
|
6.0
± 0.3
|
4890 |
EN300-114112_1_1
|
|
CC(C)(CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)NC |
−8.2
± 0.3
|
6.0
± 0.3
|
4891 |
EN300-170715_1_2
|
|
C[C@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)c5nncn5C |
−8.2
± 0.3
|
6.0
± 0.2
|
4892 |
PET-UNK-dd44aeb6-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3C#N)Cl |
−8.2
± 0.3
|
6.0
± 0.2
|
4893 |
EN300-343562_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]([C@H]5CO)CO |
−8.2
± 0.4
|
6.0
± 0.3
|
4894 |
MAT-POS-9ff17035-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cccnc4 |
−8.17
± 0.10
|
5.95
± 0.07
|
4895 |
EN300-210089_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5[C@H]6[C@@H]5COC6 |
−8.2
± 0.3
|
6.0
± 0.2
|
4896 |
MAT-POS-fce787c2-9
|
|
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC |
−8.2
± 0.2
|
5.9
± 0.2
|
4897 |
EN300-146174_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)CO |
−8.2
± 0.4
|
5.9
± 0.3
|
4898 |
EN300-6736394_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56C[C@@H](CCO5)OC6 |
−8.2
± 0.3
|
5.9
± 0.2
|
4899 |
EN300-76541_1_1
|
|
CC[C@@H](C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−8.2
± 0.5
|
5.9
± 0.4
|
4900 |
EN300-1644723_2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@H]6[C@@H]5COCC6 |
−8.2
± 0.3
|
5.9
± 0.2
|