Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
1 |
EN300-6494474_2
|
|
Cn1cnnc1CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−22.5
± 0.2
|
16.4
± 0.2
|
2 |
EN300-07676_2
|
|
c1ccc(cc1)CC(=O)NCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−22.3
± 0.3
|
16.2
± 0.2
|
3 |
EN300-6744029_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccsc5n6cnnn6 |
−22.2
± 0.3
|
16.2
± 0.2
|
4 |
EN300-6477475_2
|
|
COCc1cc(no1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−22.2
± 0.2
|
16.2
± 0.2
|
5 |
EN300-25986_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCn5cccn5 |
−20.3
± 0.2
|
14.8
± 0.1
|
6 |
EN300-341337_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C56CCOC5CCOC6 |
−20.1
± 0.2
|
14.6
± 0.1
|
7 |
EN300-36851_2
|
|
CC1CC1C(=O)NCCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−19.3
± 0.3
|
14.1
± 0.2
|
8 |
EN300-6745453_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5Cc6nncn6C5 |
−18.9
± 0.2
|
13.7
± 0.1
|
9 |
EN300-39305_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCS(=O)(=O)CC5 |
−18.0
± 0.2
|
13.1
± 0.1
|
10 |
EN300-27341_2
|
|
CS(=O)(=O)N1CCCC(C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−16.9
± 0.3
|
12.3
± 0.2
|
11 |
EN300-702062_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCOC5CCOC5 |
−16.7
± 0.3
|
12.2
± 0.2
|
12 |
EN300-36096_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CN5CCCNC5=O |
−16.7
± 0.2
|
12.1
± 0.1
|
13 |
EN300-103435_2
|
|
Cc1cc(cc(=O)n1CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−16.2
± 0.2
|
11.8
± 0.2
|
14 |
EN300-124164_2
|
|
COCCN1CCN(CC1=O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−15.8
± 0.4
|
11.5
± 0.3
|
15 |
EN300-197715_2
|
|
Cc1nnnn1CCCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−15.4
± 0.2
|
11.2
± 0.2
|
16 |
EN300-39439_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCCC(=O)N |
−15.2
± 0.3
|
11.1
± 0.2
|
17 |
VLA-UCB-50c39ae8-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 |
−15.1
± 0.5
|
11.0
± 0.4
|
18 |
EN300-205110_2
|
|
C[C@H](CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−15.0
± 0.3
|
10.9
± 0.2
|
19 |
EN300-1704404_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CNC(=O)CC56CCC6 |
−14.6
± 0.2
|
10.6
± 0.1
|
20 |
EN300-719522_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H]6[C@@H]5CCOC6 |
−14.6
± 0.2
|
10.6
± 0.1
|
21 |
EN300-7351945_1
|
|
CC1(CC(CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−14.6
± 0.2
|
10.6
± 0.2
|
22 |
EN300-116249_2
|
|
CC(CNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(CN(C)C)O |
−14.2
± 0.7
|
10.3
± 0.5
|
23 |
EN300-248982_1
|
|
Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N |
−14.2
± 0.2
|
10.3
± 0.2
|
24 |
EN300-305984_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnn6 |
−14.2
± 0.2
|
10.3
± 0.2
|
25 |
EN300-135238_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5[nH]cc6 |
−14.1
± 0.2
|
10.3
± 0.1
|
26 |
EN300-7437779_1
|
|
Cn1c(=O)c(c[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−14.1
± 0.2
|
10.3
± 0.1
|
27 |
EN300-42819_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(=O)NC5 |
−14.1
± 0.2
|
10.2
± 0.2
|
28 |
EN300-202106_1
|
|
Cn1c2c(c(ccn2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)nn1 |
−13.9
± 0.2
|
10.1
± 0.2
|
29 |
EN300-222357_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5c[nH]nn5 |
−13.8
± 0.2
|
10.1
± 0.2
|
30 |
EN300-114526_1
|
|
Cc1c(c(n[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−13.7
± 0.2
|
10.0
± 0.2
|
31 |
EN300-1600312_1
|
|
Cc1cc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.7
± 0.2
|
9.9
± 0.1
|
32 |
EN300-301416_3
|
|
CS(=O)(=O)N1CCC(CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.6
± 0.3
|
9.9
± 0.2
|
33 |
EN300-122656_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCSC5)O |
−13.6
± 0.5
|
9.9
± 0.3
|
34 |
EN300-1251424_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn(n5)CC#N |
−13.6
± 0.3
|
9.9
± 0.2
|
35 |
EN300-110423_1
|
|
Cc1c(c(=O)[nH]o1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.6
± 0.3
|
9.9
± 0.2
|
36 |
EN300-254908_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)n6cnnn6 |
−13.5
± 0.3
|
9.8
± 0.2
|
37 |
EN300-7549839_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5n6cnnn6 |
−13.5
± 0.2
|
9.8
± 0.2
|
38 |
EN300-297561_3
|
|
CC(C)C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 |
−13.4
± 0.3
|
9.8
± 0.2
|
39 |
EN300-263085_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)n6cnnn6 |
−13.4
± 0.3
|
9.8
± 0.2
|
40 |
EN300-36731_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)n6cnnn6 |
−13.4
± 0.2
|
9.7
± 0.2
|
41 |
EN300-1709101_1
|
|
Cc1nc(nn1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.3
± 0.2
|
9.7
± 0.2
|
42 |
EN300-1726153_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccn6c5nnc6 |
−13.3
± 0.3
|
9.7
± 0.2
|
43 |
EN300-322400_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](OCCO5)C(F)(F)F |
−13.3
± 0.2
|
9.7
± 0.2
|
44 |
EN300-365398_3
|
|
Cn1c(nnn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.3
± 0.3
|
9.7
± 0.2
|
45 |
EN300-702756_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CS(=O)(=O)CC(=O)N5 |
−13.3
± 0.3
|
9.7
± 0.2
|
46 |
EN300-3031933_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC6(O5)CCOC6 |
−13.3
± 0.2
|
9.7
± 0.2
|
47 |
EN300-10334_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCC(=O)N5CCS6 |
−13.3
± 0.3
|
9.7
± 0.2
|
48 |
EN300-243465_1
|
|
Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−13.3
± 0.2
|
9.7
± 0.2
|
49 |
EN300-19900_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnccn5 |
−13.3
± 0.2
|
9.7
± 0.1
|
50 |
EN300-378044_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC=CCO5 |
−13.3
± 0.2
|
9.7
± 0.2
|
51 |
EN300-106352_2
|
|
CN(C)c1c(c(=O)[nH]cn1)NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.2
± 0.3
|
9.6
± 0.2
|
52 |
EN300-219496_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCCN(C5)S(=O)(=O)N |
−13.2
± 0.3
|
9.6
± 0.2
|
53 |
EN300-297872_1
|
|
COCCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.2
± 0.3
|
9.6
± 0.2
|
54 |
EN300-6494693_1
|
|
CCn1c(ncn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.2
± 0.2
|
9.6
± 0.2
|
55 |
EN300-157541_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)CC5CO |
−13.2
± 0.4
|
9.6
± 0.3
|
56 |
EN300-14752_1
|
|
CC(=O)N1CCCC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.2
± 0.3
|
9.6
± 0.2
|
57 |
EN300-147499_1
|
|
Cc1cc(c(=O)[nH]n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.2
± 0.3
|
9.6
± 0.2
|
58 |
EN300-6744029_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccsc5n6cnnn6 |
−13.2
± 0.3
|
9.6
± 0.2
|
59 |
EN300-748981_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCCn6c5nnc6 |
−13.1
± 0.2
|
9.6
± 0.2
|
60 |
EN300-102071_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)C(=O)N |
−13.1
± 0.3
|
9.6
± 0.2
|
61 |
EN300-2007648_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CC(C5)CO6 |
−13.1
± 0.2
|
9.6
± 0.2
|
62 |
EN300-186536_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCCCC5)n6cnnn6 |
−13.1
± 0.3
|
9.6
± 0.2
|
63 |
EN300-318284_1
|
|
CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C |
−13.1
± 0.2
|
9.6
± 0.2
|
64 |
EN300-09334_1
|
|
CCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.1
± 0.3
|
9.6
± 0.2
|
65 |
EN300-6739934_1
|
|
Cc1cc(nn1CCO)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.1
± 0.2
|
9.5
± 0.2
|
66 |
EN300-378373_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CC5 |
−13.1
± 0.2
|
9.5
± 0.2
|
67 |
EN300-99899_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5cccnn5 |
−13.1
± 0.3
|
9.5
± 0.2
|
68 |
EN300-7432302_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CC[C@H](C5)[C@@H]([C@@H]6O)O |
−13.1
± 0.3
|
9.5
± 0.2
|
69 |
EN300-86878_1
|
|
C#CCSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−13.0
± 0.2
|
9.5
± 0.1
|
70 |
EN300-170985_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCCO5 |
−13.0
± 0.2
|
9.4
± 0.2
|
71 |
EN300-74089_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)C#N |
−13.0
± 0.3
|
9.4
± 0.2
|
72 |
EN300-100689_1
|
|
CC(=O)N1CCOC(C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−13.0
± 0.4
|
9.4
± 0.3
|
73 |
EN300-42243_1
|
|
CC(C)CS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−13.0
± 0.3
|
9.4
± 0.2
|
74 |
EN300-2010167_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5nnc6 |
−12.9
± 0.2
|
9.4
± 0.2
|
75 |
EN300-6731334_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C56CCN(CC5)S(=O)(=O)C6 |
−12.9
± 0.4
|
9.4
± 0.3
|
76 |
EN300-189901_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6c5[nH]c(=O)[nH]6 |
−12.9
± 0.3
|
9.4
± 0.2
|
77 |
DAR-DIA-5ff57136-11
|
|
C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−12.9
± 0.3
|
9.4
± 0.2
|
78 |
EN300-77520_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC5CCOCC5 |
−12.9
± 0.2
|
9.4
± 0.2
|
79 |
EN300-197715_3
|
|
Cc1nnnn1CCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.9
± 0.3
|
9.4
± 0.2
|
80 |
EN300-299215_1
|
|
C[C@H]1[C@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.9
± 0.3
|
9.4
± 0.2
|
81 |
EN300-31998_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]nn5 |
−12.9
± 0.2
|
9.4
± 0.1
|
82 |
EN300-176023_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6n(nn5)CCNC6=O |
−12.9
± 0.3
|
9.4
± 0.2
|
83 |
EN300-140837_1
|
|
Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N |
−12.9
± 0.3
|
9.4
± 0.2
|
84 |
EN300-6738732_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56COC[C@H]5C6(F)F |
−12.9
± 0.2
|
9.4
± 0.2
|
85 |
EN300-322100_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6 |
−12.9
± 0.2
|
9.4
± 0.2
|
86 |
DAR-DIA-5ff57136-16
|
|
CC(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−12.9
± 0.2
|
9.4
± 0.1
|
87 |
EN300-191904_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cnnn5 |
−12.9
± 0.2
|
9.4
± 0.2
|
88 |
EN300-6479181_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC6N5C(=O)CC6 |
−12.8
± 0.3
|
9.4
± 0.2
|
89 |
EN300-65839_3
|
|
CCC(C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−12.8
± 0.3
|
9.4
± 0.2
|
90 |
EN300-250593_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5CC(=O)N5 |
−12.8
± 0.2
|
9.3
± 0.2
|
91 |
EN300-746830_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6CCOC[C@H]6CO5 |
−12.8
± 0.2
|
9.3
± 0.2
|
92 |
EN300-261859_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]sn5 |
−12.8
± 0.2
|
9.3
± 0.2
|
93 |
EN300-761220_1
|
|
CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.8
± 0.3
|
9.3
± 0.2
|
94 |
EN300-244909_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO |
−12.8
± 0.3
|
9.3
± 0.2
|
95 |
EN300-66976_1
|
|
Cn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.8
± 0.2
|
9.3
± 0.1
|
96 |
EN300-1719160_1
|
|
CCn1cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.8
± 0.2
|
9.3
± 0.2
|
97 |
EN300-1703711_1
|
|
COc1c(cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−12.8
± 0.3
|
9.3
± 0.2
|
98 |
EN300-315792_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F |
−12.8
± 0.2
|
9.3
± 0.2
|
99 |
EN300-200426_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCNC6=O |
−12.8
± 0.2
|
9.3
± 0.2
|
100 |
EN300-261596_1
|
|
C=CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−12.8
± 0.3
|
9.3
± 0.2
|