Molecular Properties | |
SMILES: | COc1cccc(CNC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c3ncccc32)c1 |
MW: | 402.17 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3439664509 |
MolPort: | MolPort-028-858-965 |
MAR-TRE-d0525fbf-68
0.828
MAR-TRE-04c86cea-58
0.814
MAR-TRE-f6f5f473-22
0.742
MAR-TRE-3e4e6814-2
0.725
MAR-TRE-b77b7921-48
0.725
MAR-TRE-04c86cea-80
0.713
MAR-TRE-3e4e6814-21
0.708
MAR-TRE-f6f5f473-55
0.701
MAR-TRE-d0525fbf-6
0.688
MAR-TRE-d0525fbf-8
0.681
MAR-TRE-74c6519b-39
0.674
MAR-TRE-f6f5f473-17
0.659
MAR-TRE-74c6519b-70
0.649
MAR-TRE-4b834d9a-23
0.648
MAR-TRE-04c86cea-70
0.638
MAR-TRE-7f7bb9f0-70
0.632
MAR-TRE-3e4e6814-86
0.630
MAR-TRE-74c6519b-92
0.630
MAR-TRE-4b834d9a-3
0.626
MAR-TRE-74c6519b-30
0.624
MAR-TRE-d0525fbf-79
0.617
MAR-TRE-4b834d9a-69
0.617
MAR-TRE-7f7bb9f0-3
0.615
MAR-TRE-d0525fbf-37
0.611
MAR-TRE-d0525fbf-9
0.611
MAR-TRE-04c86cea-20
0.610
MAR-TRE-f6f5f473-34
0.609
MAR-TRE-f6f5f473-68
0.606
MAR-TRE-d0525fbf-70
0.596
MAR-TRE-f6f5f473-12
0.594
MAR-TRE-b77b7921-20
0.592
MAR-TRE-04c86cea-57
0.588
MAR-TRE-d0525fbf-22
0.586
MAR-TRE-3e4e6814-4
0.586
MAR-TRE-04c86cea-60
0.583
MAR-TRE-74c6519b-45
0.582
MAR-TRE-f6f5f473-94
0.560
MAR-TRE-4b834d9a-60
0.559
MAR-TRE-3e4e6814-73
0.558
MAR-TRE-3e4e6814-25
0.556
MAR-TRE-d0525fbf-71
0.553
MAR-TRE-b77b7921-10
0.552
MAR-TRE-d0525fbf-12
0.550
MAR-TRE-7f7bb9f0-73
0.548
MAR-TRE-d0525fbf-3
0.545
MAR-TRE-d0525fbf-2
0.544
MAR-TRE-3e4e6814-60
0.540
MAR-TRE-74c6519b-77
0.539
MAR-TRE-d0525fbf-44
0.538
MAR-TRE-b77b7921-68
0.538
MAR-TRE-7f7bb9f0-1
0.538
MAR-TRE-67513f76-11
0.536
MAR-TRE-3e4e6814-26
0.529
MAR-TRE-4b834d9a-35
0.525
MAR-TRE-9c797165-85
0.520
MAR-TRE-04c86cea-21
0.510
MAR-TRE-04c86cea-52
0.510
MAR-TRE-f6f5f473-20
0.510
MAR-TRE-9c797165-78
0.505
MAR-TRE-9c797165-23
0.500
MAR-TRE-74c6519b-86
0.500
MAR-TRE-d0525fbf-21
0.490
MAR-TRE-7f7bb9f0-22
0.485
MAR-TRE-3e4e6814-18
0.485
MAR-TRE-3e4e6814-10
0.485
MAR-TRE-4b834d9a-54
0.480
MAR-TRE-b77b7921-11
0.480
MAR-TRE-4b834d9a-76
0.476
MAR-TRE-4b834d9a-94
0.476
MAR-TRE-d0525fbf-89
0.472
MAR-TRE-f6f5f473-72
0.472
MAR-TRE-04c86cea-69
0.465
MAR-TRE-b77b7921-98
0.462
MAR-TRE-b77b7921-59
0.461
MAR-TRE-04c86cea-45
0.461
MAR-TRE-74c6519b-25
0.460
MAR-TRE-b77b7921-27
0.457
MAR-TRE-7f7bb9f0-78
0.454
MAR-TRE-4b834d9a-36
0.453
MAR-TRE-b77b7921-43
0.453
MAR-TRE-3e4e6814-69
0.453
MAR-TRE-3e4e6814-72
0.452
MAR-TRE-f6f5f473-88
0.448
MAR-TRE-4b834d9a-2
0.446
MAR-TRE-4b834d9a-39
0.444
MAR-TRE-f6f5f473-43
0.442
MAR-TRE-f6f5f473-53
0.441
MAR-TRE-7f7bb9f0-71
0.439
MAR-TRE-74c6519b-73
0.434
MAR-TRE-67513f76-23
0.431
MAR-TRE-4b834d9a-30
0.431
MAR-TRE-f6f5f473-45
0.431
MAR-TRE-f6f5f473-96
0.431
MAR-TRE-04c86cea-56
0.430
MAR-TRE-4b834d9a-25
0.427
MAR-TRE-67513f76-62
0.426
MAR-TRE-4b834d9a-22
0.426
MAR-TRE-04c86cea-72
0.426
MAR-TRE-3e4e6814-75
0.426
MAR-TRE-74c6519b-72
0.423