Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
4901 |
ALP-UNI-76695c4f-5
|
|
CC(C(=O)N)N1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.2
± 0.2
|
5.9
± 0.2
|
4902 |
EN300-1273016_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCc6n5ncn6 |
−8.2
± 0.3
|
5.9
± 0.2
|
4903 |
EN300-379020_3_1
|
|
Cn1cc[n+]2c([nH]nc2c1=O)COCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.2
± 0.4
|
5.9
± 0.3
|
4904 |
EN300-300217_2_3
|
|
C/C=C\[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.2
± 0.3
|
5.9
± 0.2
|
4905 |
EN300-269627_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(Cn6ccnn6)O |
−8.2
± 0.3
|
5.9
± 0.2
|
4906 |
EN300-297937_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCC(=O)N5 |
−8.2
± 0.3
|
5.9
± 0.2
|
4907 |
MAT-POS-3b92565d-1
|
|
COc1ccc(cc1CC(=O)Nc2cncc3c2cccc3)Cl |
−8.16
± 0.09
|
5.94
± 0.07
|
4908 |
EN300-194172_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)CC(=O)N |
−8.2
± 0.3
|
5.9
± 0.2
|
4909 |
EN300-82616_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCNC5=O |
−8.2
± 0.4
|
5.9
± 0.3
|
4910 |
EN300-7444121_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]([C@H](C56CCC6)O)O |
−8.2
± 0.3
|
5.9
± 0.2
|
4911 |
EDJ-MED-d08626de-5
|
|
COC1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.2
± 0.1
|
5.94
± 0.09
|
4912 |
MAK-UNK-ffc90da7-5
|
|
CC(CO)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl)NC4CC4 |
−8.1
± 0.3
|
5.9
± 0.2
|
4913 |
EDJ-MED-ee07cf00-13
|
|
Cc1nc2n(n1)C[C@@H](CC2)C(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.4
|
5.9
± 0.3
|
4914 |
EN300-305996_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5COC(=O)N5 |
−8.1
± 0.2
|
5.9
± 0.2
|
4915 |
EN300-76541_1_4
|
|
CC[C@H](C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C |
−8.1
± 0.4
|
5.9
± 0.3
|
4916 |
EN300-107047_1_1
|
|
Cc1cc(=O)[nH]cc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4917 |
RAL-THA-c9f97604-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4[C@H]5CC[C@@H]3O5)Cl |
−8.1
± 0.2
|
5.9
± 0.2
|
4918 |
EDJ-MED-d203f206-36
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(C#N)C(=O)N |
−8.1
± 0.2
|
5.9
± 0.2
|
4919 |
EN300-6739162_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6[C@H](C5)OC(=O)N6 |
−8.1
± 0.4
|
5.9
± 0.3
|
4920 |
MAT-POS-89e65850-1
|
|
COC1(CC(=O)Nc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.3
|
5.9
± 0.2
|
4921 |
EN300-233821_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@@H]6C[C@H]5C(=O)O6 |
−8.1
± 0.3
|
5.9
± 0.2
|
4922 |
RAL-THA-2d450e86-32
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)C(F)(F)F |
−8.1
± 0.3
|
5.9
± 0.2
|
4923 |
EN300-748753_1_1
|
|
C[C@]12CN(C[C@H]1CS(=O)(=O)C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−8.1
± 0.3
|
5.9
± 0.2
|
4924 |
EN300-178288_2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6C[C@]6(C5)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4925 |
RAL-THA-8416115c-13
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5[nH]ncn5 |
−8.1
± 0.2
|
5.9
± 0.2
|
4926 |
EN300-6744029_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccsc5n6cnnn6 |
−8.1
± 0.4
|
5.9
± 0.3
|
4927 |
ED_-GRI-5b13fbe2-2
|
|
CC(CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NCc5cc(no5)C(=O)O |
−8.1
± 0.4
|
5.9
± 0.3
|
4928 |
EN300-304662_2_1
|
|
Cc1nnc(o1)CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4929 |
EN300-7470991_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H](C[C@H]5CO)CO |
−8.1
± 0.3
|
5.9
± 0.2
|
4930 |
EDJ-MED-ee07cf00-9
|
|
c1ccc(cc1)c2nnn(n2)CC(=O)NC(c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.5
|
5.9
± 0.3
|
4931 |
EN300-315854_4_1
|
|
C[C@@]1(CCNC(=O)C1)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4932 |
EN300-862094_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]5C(=O)N |
−8.1
± 0.3
|
5.9
± 0.2
|
4933 |
MIC-UNK-bcd487e9-8
|
|
c1ccc2c(c1)cncc2NC(=O)N(Cc3[nH]ncn3)c4cccc(c4)Cl |
−8.1
± 0.4
|
5.9
± 0.3
|
4934 |
EN300-6766760_4_1
|
|
CCn1cnnc1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.4
|
5.9
± 0.3
|
4935 |
EN300-1266218_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c6c(=O)[nH]cnc6n[nH]5 |
−8.1
± 0.4
|
5.9
± 0.3
|
4936 |
EN300-51411_1_1
|
|
Cn1cc([cH+][nH]1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4937 |
EN300-393148_4_1
|
|
C[N@]1[C@@H](CCS1(=O)=O)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.4
|
5.9
± 0.3
|
4938 |
EN300-304695_3_1
|
|
CN1CCCC[C@@H](C1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4939 |
EN300-51801_1_1
|
|
CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C |
−8.1
± 0.2
|
5.9
± 0.2
|
4940 |
EN300-325729_2_1
|
|
COC[C@@H]1COCCN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4941 |
MIC-UNK-91acba05-4
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCCc4c3cc(cc4)Cl |
−8.1
± 0.2
|
5.9
± 0.2
|
4942 |
MIC-UNK-cdc2493e-7
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4CCc5ccccc5C4 |
−8.1
± 0.3
|
5.9
± 0.2
|
4943 |
MAT-POS-f9802937-6
|
|
CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.2
|
5.9
± 0.1
|
4944 |
EN300-48902_2_2
|
|
CNC(=O)[C@H]1CCCN1C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.4
|
5.9
± 0.3
|
4945 |
EN300-146491_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCC(=O)N5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4946 |
EN300-316258_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COCc5cc[nH]c(=O)c5 |
−8.1
± 0.2
|
5.9
± 0.2
|
4947 |
EN300-1091496_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[N@@]6[C@H](C5)CCS6(=O)=O |
−8.1
± 0.3
|
5.9
± 0.2
|
4948 |
EN300-41863_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5c[nH]nc5 |
−8.1
± 0.2
|
5.9
± 0.1
|
4949 |
EN300-179352_1_1
|
|
CNC(=O)[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4950 |
EN300-75342_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccnc5 |
−8.1
± 0.2
|
5.9
± 0.2
|
4951 |
EN300-120920_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCC(=O)NC5=O |
−8.1
± 0.3
|
5.9
± 0.2
|
4952 |
EDG-MED-971238d3-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCN |
−8.1
± 0.2
|
5.9
± 0.2
|
4953 |
EN300-68225_2_1
|
|
CC(C)(CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−8.1
± 0.2
|
5.9
± 0.2
|
4954 |
DAR-DIA-0d514e7d-31
|
|
CC1CCOC2C=CC(=CC2C1C(=O)Nc3cncc4c3cccc4)Cl |
−8.1
± 0.2
|
5.9
± 0.1
|
4955 |
EN300-741926_2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)F)O |
−8.1
± 0.4
|
5.9
± 0.3
|
4956 |
EN300-325738_1_1
|
|
CN1[C@@H](CCCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4957 |
EDJ-MED-e4b030d8-1
|
|
C[C@@]1(c2cc(ccc2OCC1=O)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.1
|
5.90
± 0.08
|
4958 |
EN300-125874_1_1
|
|
Cn1cnnc1N(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4959 |
EN300-2008240_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(C5)n6ccnn6 |
−8.1
± 0.4
|
5.9
± 0.3
|
4960 |
EN300-217107_4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@H]5C(=O)N |
−8.1
± 0.4
|
5.9
± 0.3
|
4961 |
EN300-6526690_2_1
|
|
C[C@H](c1nc([nH]n1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4962 |
PET-UNK-b87f07d0-3
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CCCNC(=O)C(F)(F)F |
−8.1
± 0.4
|
5.9
± 0.3
|
4963 |
EDG-MED-90036822-42
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)N6CC(C6)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4964 |
MIC-UNK-cdc2493e-3
|
|
c1ccc(cc1)CCN(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.4
|
5.9
± 0.3
|
4965 |
EN300-184355_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](C(=O)N)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4966 |
EN300-649738_1_1
|
|
Cc1c(n(nn1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.2
|
5.9
± 0.2
|
4967 |
EN300-70092_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)C(=O)N |
−8.1
± 0.4
|
5.9
± 0.3
|
4968 |
EN300-25572_2_2
|
|
C[C@H]1CN(CCO1)C(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4969 |
EN300-62857_1_1
|
|
COCCS(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.4
|
5.9
± 0.3
|
4970 |
EDJ-MED-d203f206-12
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nc([nH]n5)CO |
−8.1
± 0.2
|
5.9
± 0.2
|
4971 |
DAR-DIA-0d514e7d-17
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5cc(cc(c5)F)F |
−8.1
± 0.2
|
5.9
± 0.2
|
4972 |
RAL-THA-2d450e86-30
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
4973 |
MIC-UNK-cdc2493e-21
|
|
CC(=O)N(C)C1CCC(C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.4
|
5.9
± 0.3
|
4974 |
EN300-378316_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]nc6[n+]5cc[nH]c6=O |
−8.1
± 0.6
|
5.9
± 0.4
|
4975 |
MAT-POS-c7771779-2
|
|
COC1(CC(=O)Nc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.4
|
5.9
± 0.3
|
4976 |
EN300-257785_2_1
|
|
CC1(CN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N |
−8.1
± 0.3
|
5.9
± 0.2
|
4977 |
EN300-120920_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCC(=O)NC5=O |
−8.1
± 0.2
|
5.9
± 0.2
|
4978 |
EN300-862094_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]5C(=O)N |
−8.1
± 0.3
|
5.9
± 0.2
|
4979 |
EN300-77265_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cc(=O)c(co5)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4980 |
EN300-51350_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6nncn6C5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4981 |
ALP-POS-5bb456a5-7
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 |
−8.1
± 0.2
|
5.9
± 0.2
|
4982 |
ADA-UCB-dc2b944c-8
|
|
c1cc2c(cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)c(c1)Cl |
−8.08
± 0.06
|
5.89
± 0.04
|
4983 |
EN300-137786_3_1
|
|
C[C@@H]1CCCN(C1)C(=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|
4984 |
EN300-249222_1_2
|
|
CC[C@H](C(=O)NC)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.3
|
5.9
± 0.2
|
4985 |
JOH-UNI-ee5ed7c8-1
|
|
C#CC(=O)c1cccc2c1c(cnc2)NC(=O)Cc3cccc(c3)Cl |
−8.1
± 0.3
|
5.9
± 0.2
|
4986 |
EN300-183001_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC#N |
−8.1
± 0.2
|
5.9
± 0.1
|
4987 |
EN300-42195_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@H](C5)CNC(=O)N |
−8.1
± 0.4
|
5.9
± 0.3
|
4988 |
EN300-7355477_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@H]([C@H](C[C@H]6C5)O)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4989 |
EN300-392656_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5C[C@H]([C@H](C5)O)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4990 |
RAL-THA-1d44ff04-11
|
|
CNS(=O)(=O)c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−8.1
± 0.4
|
5.9
± 0.3
|
4991 |
EN300-259849_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC[C@H](C5=O)O |
−8.1
± 0.3
|
5.9
± 0.2
|
4992 |
EN300-360157_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C[C@]5(CCOC5)O |
−8.1
± 0.4
|
5.9
± 0.3
|
4993 |
EN300-152418_3_1
|
|
Cn1[cH+][nH]cc1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.3
|
4994 |
MIC-UNK-50cce87d-1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(ccc3)F |
−8.1
± 0.2
|
5.9
± 0.2
|
4995 |
EN300-747207_2_1
|
|
CC(C)(CNC(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.1
± 0.3
|
5.9
± 0.2
|
4996 |
LAU-MED-88a3970a-17
|
|
CNC(=O)CCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−8.1
± 0.2
|
5.9
± 0.2
|
4997 |
RAL-THA-2d450e86-11
|
|
COc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |
−8.1
± 0.3
|
5.9
± 0.2
|
4998 |
EN300-1605433_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@]6(C5)CCNC6=O |
−8.1
± 0.4
|
5.9
± 0.3
|
4999 |
EN300-7436546_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)O)CC(=O)N |
−8.1
± 0.3
|
5.9
± 0.2
|
5000 |
EN300-27268_4_1
|
|
Cc1nc(on1)CCC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−8.1
± 0.3
|
5.9
± 0.2
|