Molecular Properties | |
SMILES: | Cc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21 |
MW: | 406.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3698435832 |
MolPort: | MolPort-005-279-341 |
Filter82_pyridinium
MAR-TRE-f6f5f473-57
0.756
MAR-TRE-f6f5f473-60
0.753
MAR-TRE-3e4e6814-32
0.716
MAR-TRE-f6f5f473-64
0.708
MAR-TRE-f6f5f473-3
0.685
MAR-TRE-74c6519b-84
0.649
MAR-TRE-04c86cea-23
0.617
MAR-TRE-04c86cea-66
0.615
MAR-TRE-f6f5f473-15
0.600
MAR-TRE-d0525fbf-61
0.600
MAR-TRE-b77b7921-28
0.592
MAR-TRE-04c86cea-99
0.582
MAR-TRE-b77b7921-6
0.582
MAR-TRE-74c6519b-37
0.571
MAR-TRE-04c86cea-29
0.564
MAR-TRE-d0525fbf-47
0.546
MAR-TRE-74c6519b-33
0.545
MAR-TRE-74c6519b-15
0.545
MAR-TRE-04c86cea-24
0.545
MAR-TRE-74c6519b-32
0.535
MAR-TRE-04c86cea-22
0.535
MAR-TRE-d0525fbf-42
0.535
MAR-TRE-74c6519b-34
0.534
MAR-TRE-b77b7921-42
0.529
MAR-TRE-d0525fbf-27
0.515
MAR-TRE-3e4e6814-46
0.515
MAR-TRE-74c6519b-80
0.509
MAR-TRE-3e4e6814-48
0.505
MAR-TRE-7f7bb9f0-24
0.505
MAR-TRE-4b834d9a-41
0.505
MAR-TRE-74c6519b-21
0.505
MAR-TRE-74c6519b-28
0.500
MAR-TRE-74c6519b-43
0.495
MAR-TRE-04c86cea-43
0.495
MAR-TRE-d0525fbf-56
0.495
MAR-TRE-d0525fbf-17
0.495
MAR-TRE-d0525fbf-15
0.491
MAR-TRE-3e4e6814-29
0.490
MAR-TRE-74c6519b-31
0.490
MAR-TRE-4b834d9a-81
0.490
MAR-TRE-b77b7921-58
0.490
MAR-TRE-04c86cea-42
0.486
MAR-TRE-d0525fbf-76
0.485
MAR-TRE-b77b7921-60
0.481
MAR-TRE-04c86cea-67
0.481
MAR-TRE-04c86cea-30
0.480
MAR-TRE-b77b7921-82
0.476
MAR-TRE-4b834d9a-72
0.475
MAR-TRE-7f7bb9f0-77
0.475
MAR-TRE-74c6519b-74
0.475
MAR-TRE-4b834d9a-19
0.474
MAR-TRE-74c6519b-99
0.472
MAR-TRE-f6f5f473-18
0.472
MAR-TRE-d0525fbf-62
0.471
MAR-TRE-3e4e6814-15
0.467
MAR-TRE-3e4e6814-40
0.467
MAR-TRE-d0525fbf-58
0.466
MAR-TRE-7f7bb9f0-52
0.465
MAR-TRE-d0525fbf-31
0.462
MAR-TRE-d0525fbf-48
0.462
MAR-TRE-b77b7921-44
0.459
MAR-TRE-74c6519b-87
0.459
MAR-TRE-d0525fbf-20
0.454
MAR-TRE-d0525fbf-49
0.454
MAR-TRE-d0525fbf-25
0.453
MAR-TRE-7f7bb9f0-40
0.453
MAR-TRE-b77b7921-57
0.453
MAR-TRE-74c6519b-62
0.450
MAR-TRE-3e4e6814-83
0.444
MAR-TRE-3e4e6814-91
0.444
MAR-TRE-3e4e6814-11
0.434
MAR-TRE-4b834d9a-52
0.433
MAR-TRE-b77b7921-65
0.432
MAR-TRE-04c86cea-3
0.430
MAR-TRE-3e4e6814-98
0.430
MAR-TRE-f6f5f473-38
0.429
MAR-TRE-f6f5f473-21
0.425
MAR-TRE-d0525fbf-34
0.421
MAR-TRE-9c797165-19
0.421
MAR-TRE-4b834d9a-50
0.419
MAR-TRE-b77b7921-1
0.419
MAR-TRE-b77b7921-13
0.419
MAR-TRE-d0525fbf-13
0.418
MAR-TRE-f6f5f473-7
0.417
MAR-TRE-d0525fbf-29
0.417
MAR-TRE-74c6519b-40
0.417
MAR-TRE-04c86cea-10
0.415
MAR-TRE-b77b7921-46
0.415
MAR-TRE-d0525fbf-57
0.414
MAR-TRE-b77b7921-45
0.413
MAR-TRE-74c6519b-94
0.410
MAR-TRE-d0525fbf-40
0.409
MAR-TRE-4b834d9a-28
0.409
MAR-TRE-d0525fbf-1
0.407
MAR-TRE-04c86cea-59
0.407
MAR-TRE-74c6519b-1
0.404
MAR-TRE-74c6519b-4
0.404
MAR-TRE-b77b7921-25
0.404
MAR-TRE-04c86cea-2
0.398
MAR-TRE-04c86cea-8
0.398