Compounds

Showing 1 through 100 of 321
Rank Compound SMILES ΔG / kcal M-1 pIC50
1 EDJ-MED-468565e0-2 molecule c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −13.9 ± 0.7 10.1 ± 0.5
2 LUO-POS-8484f2d3-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −13.3 ± 0.6 9.7 ± 0.5
3 EDJ-MED-9f4ac58c-3 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −12.6 ± 0.5 9.2 ± 0.4
4 EDJ-MED-9f4ac58c-7 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl −12.6 ± 0.4 9.2 ± 0.3
5 MAT-POS-be048f2c-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 −12.3 ± 0.1 9.0 ± 0.1
6 EDJ-MED-9f4ac58c-6 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −12.3 ± 0.4 8.9 ± 0.3
7 VLA-UNK-61877630-9 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)c5cc(ccc5CN(C4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl −12.2 ± 0.4 8.9 ± 0.3
8 EDJ-MED-9f4ac58c-5 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)Cl)c6cc(ccc6C2=O)Cl −12.2 ± 0.3 8.9 ± 0.2
9 MAT-POS-38eb6498-1 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −12.0 ± 0.6 8.7 ± 0.5
10 EDJ-MED-cc48ee33-3 molecule Cn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.9 ± 0.1 8.70 ± 0.08
11 EDJ-MED-9f4ac58c-8 molecule COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)S(=O)(=O)C)c6cc(ccc6C2=O)Cl −11.9 ± 0.5 8.6 ± 0.3
12 EDJ-MED-a12e3a20-2 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)CN(C2=O)c4cncc5c4cccc5 −11.8 ± 0.1 8.62 ± 0.09
13 MAT-POS-853c0ffa-11 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −11.7 ± 0.4 8.6 ± 0.3
14 EDJ-MED-9f4ac58c-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.7 ± 0.4 8.5 ± 0.3
15 EDJ-MED-7d88f880-3 molecule CS(=N)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.6 ± 0.5 8.5 ± 0.4
16 MAT-POS-be048f2c-5 molecule CCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.6 ± 0.2 8.5 ± 0.1
17 DAR-DIA-0f7b7cd9-9 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CCOc5c4cc(cc5)Cl −11.57 ± 0.08 8.43 ± 0.06
18 MAT-POS-be048f2c-8 molecule CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.5 ± 0.2 8.4 ± 0.1
19 EDJ-MED-9f4ac58c-1 molecule c1cc2c(cc1Cl)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.5 ± 0.3 8.4 ± 0.3
20 MAT-POS-853c0ffa-10 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC −11.5 ± 0.5 8.4 ± 0.3
21 MAT-POS-be048f2c-6 molecule CC(C)n1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.3 ± 0.3 8.2 ± 0.2
22 PET-UNK-6af7266d-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −11.3 ± 0.1 8.23 ± 0.08
23 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.3 ± 0.4 8.2 ± 0.3
24 MAT-POS-40ad851a-4 molecule CN(C)CCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.2 ± 0.7 8.2 ± 0.5
25 EDJ-MED-cc48ee33-7 molecule Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −11.2 ± 0.2 8.2 ± 0.1
26 EDJ-MED-b6c6ee2b-5 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −11.2 ± 0.3 8.1 ± 0.2
27 PET-UNK-6af7266d-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −11.1 ± 0.1 8.11 ± 0.07
28 EDJ-MED-cc48ee33-5 molecule Cc1cc(n(n1)C)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −11.1 ± 0.2 8.1 ± 0.1
29 MAT-POS-853c0ffa-19 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl −11.1 ± 0.4 8.1 ± 0.3
30 EDJ-MED-7e491f08-1 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −11.1 ± 0.5 8.1 ± 0.3
31 MAT-POS-38eb6498-4 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl −11.0 ± 0.3 8.0 ± 0.2
32 MAT-POS-853c0ffa-9 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −11.0 ± 0.7 8.0 ± 0.5
33 ALP-POS-ecbed2ba-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −11.0 ± 1.0 8.0 ± 0.7
34 PET-UNK-aa57768f-7 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −11.0 ± 0.1 7.98 ± 0.08
35 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.9 ± 0.4 8.0 ± 0.3
36 EDJ-MED-159244ea-1 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CCOc5c4cc(cc5)Cl −10.87 ± 0.06 7.92 ± 0.05
37 EDJ-MED-dfa1d800-2 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCOCC6)c7cc(ccc7C2=O)Cl −10.9 ± 0.3 7.9 ± 0.2
38 MAT-POS-983b399a-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −10.81 ± 0.06 7.88 ± 0.04
39 EDJ-MED-5cd3920d-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)C(F)F)c6cc(ccc6C2=O)Cl −10.8 ± 0.2 7.9 ± 0.1
40 EDJ-MED-ee81482e-5 molecule c1cc2cncc(c2cc1CN3CC4(C3)COC4)N5CCC6(C5=O)CN(Cc7c6cc(cc7)Cl)S(=O)(=O)CC8(CC8)C#N −10.8 ± 0.5 7.8 ± 0.4
41 MAT-POS-50a80394-6 molecule CC(C)C1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −10.8 ± 0.2 7.8 ± 0.2
42 ALP-POS-477dc5b7-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl −10.75 ± 0.07 7.83 ± 0.05
43 EDJ-MED-468565e0-5 molecule c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.7 ± 0.5 7.8 ± 0.4
44 PET-UNK-aa57768f-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.7 ± 0.1 7.81 ± 0.07
45 MAT-POS-853c0ffa-12 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O −10.7 ± 0.4 7.8 ± 0.3
46 MAT-POS-40ad851a-1 molecule CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.7 ± 0.6 7.8 ± 0.5
47 DAR-DIA-0f7b7cd9-8 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)C(=O)S3 −10.67 ± 0.09 7.78 ± 0.06
48 VLA-UCB-29506327-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O −10.67 ± 0.06 7.77 ± 0.05
49 PET-UNK-14142a25-10 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.7 ± 0.1 7.76 ± 0.09
50 LUO-POS-9931618f-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.7 ± 0.1 7.76 ± 0.09
51 EDG-MED-b1ef7fe3-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −10.7 ± 0.1 7.76 ± 0.08
52 LUO-POS-8484f2d3-2 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.6 ± 0.6 7.8 ± 0.4
53 PET-UNK-aa57768f-9 molecule C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.64 ± 0.10 7.75 ± 0.07
54 EDJ-MED-7e491f08-2 molecule CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 −10.6 ± 0.2 7.7 ± 0.1
55 EDJ-MED-8bb691af-8 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.6 ± 0.1 7.73 ± 0.08
56 EDJ-MED-ee81482e-1 molecule c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.6 ± 0.4 7.7 ± 0.3
57 PET-UNK-6af7266d-2 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.6 ± 0.1 7.71 ± 0.09
58 EDJ-MED-dfa1d800-5 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CC(C6)(F)F)c7cc(ccc7C2=O)Cl −10.6 ± 0.2 7.7 ± 0.2
59 VLA-UNK-61877630-3 molecule CNC(=O)CN1C([C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F −10.6 ± 0.2 7.7 ± 0.1
60 EDJ-MED-fd8ed875-3 molecule CNC(=O)CN1CC2(C=CN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.55 ± 0.10 7.68 ± 0.07
61 EDJ-MED-468565e0-1 molecule c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.5 ± 0.6 7.7 ± 0.4
62 VLA-UNK-cf7facf1-1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.54 ± 0.06 7.68 ± 0.05
63 PET-UNK-14142a25-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.5 ± 0.1 7.67 ± 0.09
64 MAT-POS-50a80394-5 molecule CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 −10.5 ± 0.2 7.7 ± 0.1
65 EDJ-MED-5cd3920d-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC(F)F)c6cc(ccc6C2=O)Cl −10.5 ± 0.2 7.7 ± 0.1
66 MAT-POS-40ad851a-5 molecule c1cc2cncc(c2cc1OCCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.5 ± 0.5 7.7 ± 0.4
67 LUO-POS-8c3e556a-1 molecule CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.5 ± 0.1 7.67 ± 0.09
68 ALP-POS-ecbed2ba-20 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)N6CCC6 −10.5 ± 0.7 7.7 ± 0.5
69 ALP-POS-ecbed2ba-18 molecule CCN(C)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −10.5 ± 0.2 7.7 ± 0.2
70 EDJ-MED-dfa1d800-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCCC6)c7cc(ccc7C2=O)Cl −10.5 ± 0.3 7.6 ± 0.2
71 VLA-UCB-34f3ed0c-11 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)NC3=O −10.46 ± 0.07 7.62 ± 0.05
72 EDG-MED-b1ef7fe3-3 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)F)c5cc(ccc5C1=O)Cl −10.5 ± 0.1 7.62 ± 0.08
73 EDJ-MED-dfa1d800-4 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCC(CC6)(F)F)c7cc(ccc7C2=O)Cl −10.5 ± 0.3 7.6 ± 0.2
74 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.5 ± 0.4 7.6 ± 0.3
75 EDJ-MED-98c0a822-3 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.5 ± 0.2 7.6 ± 0.1
76 EDJ-MED-cc48ee33-4 molecule Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C −10.5 ± 0.2 7.6 ± 0.2
77 DAR-DIA-6be260fc-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl −10.41 ± 0.10 7.58 ± 0.07
78 LUO-POS-9931618f-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.4 ± 0.1 7.57 ± 0.08
79 PET-UNK-94036022-2 molecule C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.4 ± 0.3 7.6 ± 0.2
80 EDJ-MED-b6c6ee2b-6 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl −10.4 ± 0.1 7.56 ± 0.09
81 PET-UNK-6af7266d-4 molecule c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 −10.3 ± 0.1 7.52 ± 0.09
82 VLA-UNK-61877630-7 molecule c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N −10.3 ± 0.4 7.5 ± 0.3
83 EDJ-MED-8bb691af-6 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.3 ± 0.4 7.5 ± 0.3
84 EDJ-MED-ee81482e-3 molecule CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −10.2 ± 0.6 7.4 ± 0.4
85 EDJ-MED-fed7ac0b-1 molecule CNC(=O)CN1CC2(CNN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.39 ± 0.09
86 EDJ-MED-b6c6ee2b-3 molecule COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −10.1 ± 0.3 7.4 ± 0.3
87 LUO-POS-8c3e556a-2 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)Cl −10.1 ± 0.1 7.38 ± 0.10
88 12_-111-3e02a1cd-1 molecule c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nnco6 −10.1 ± 0.1 7.37 ± 0.08
89 EDJ-MED-d4864bdc-4 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −10.1 ± 0.3 7.4 ± 0.2
90 MAT-POS-e48723dc-1 molecule CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.1 ± 0.1 7.4 ± 0.1
91 EDJ-MED-976a33d5-1 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.1 ± 0.1 7.3 ± 0.1
92 EDJ-MED-b6c6ee2b-7 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)F)c6cc(ccc6C2=O)Cl −10.1 ± 0.1 7.3 ± 0.1
93 EDJ-MED-fed7ac0b-2 molecule CNC(=O)C1(CC1)N2CC3(CNN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl −10.0 ± 0.1 7.32 ± 0.10
94 EDJ-MED-ee81482e-4 molecule c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −10.0 ± 0.5 7.3 ± 0.4
95 ALP-POS-ecbed2ba-6 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −10.0 ± 0.3 7.3 ± 0.2
96 ALP-POS-ecbed2ba-13 molecule CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N −10.0 ± 0.3 7.3 ± 0.2
97 MIK-ENA-794411b8-1 molecule CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −10.0 ± 0.1 7.26 ± 0.10
98 VLA-UNK-f702bf1c-8 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CCc6nc[nH]n6 −9.9 ± 0.2 7.2 ± 0.1
99 EDJ-MED-7d88f880-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3ccc(c4)S(=N)(=O)C)c5cc(ccc5C1=O)Cl −9.9 ± 0.1 7.2 ± 0.1
100 MAT-POS-853c0ffa-1 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3c(ccc4)Cl)c5cc(ccc5C1=O)Cl −9.9 ± 0.2 7.2 ± 0.1
Last updated 2022-01-15T00:44:38.149510+00:00
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