Molecular Properties | |
SMILES: | CCc1ccccc1NC(=O)Cn1c(=O)n(Cc2cccs2)c(=O)c2ncccc21 |
MW: | 420.13 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8168488875 |
MolPort: | MolPort-009-692-430 |
Filter82_pyridinium
MAR-TRE-f6f5f473-5
0.753
MAR-TRE-04c86cea-22
0.730
MAR-TRE-74c6519b-32
0.730
MAR-TRE-f6f5f473-57
0.667
MAR-TRE-f6f5f473-64
0.656
MAR-TRE-f6f5f473-3
0.635
MAR-TRE-b77b7921-28
0.629
MAR-TRE-74c6519b-84
0.619
MAR-TRE-04c86cea-23
0.604
MAR-TRE-04c86cea-66
0.602
MAR-TRE-d0525fbf-61
0.588
MAR-TRE-f6f5f473-15
0.588
MAR-TRE-b77b7921-6
0.586
MAR-TRE-04c86cea-29
0.552
MAR-TRE-3e4e6814-32
0.545
MAR-TRE-d0525fbf-47
0.535
MAR-TRE-b77b7921-42
0.519
MAR-TRE-b77b7921-58
0.510
MAR-TRE-4b834d9a-81
0.510
MAR-TRE-04c86cea-99
0.510
MAR-TRE-74c6519b-15
0.505
MAR-TRE-d0525fbf-27
0.505
MAR-TRE-3e4e6814-46
0.505
MAR-TRE-74c6519b-37
0.500
MAR-TRE-b77b7921-82
0.495
MAR-TRE-3e4e6814-48
0.495
MAR-TRE-74c6519b-74
0.495
MAR-TRE-04c86cea-42
0.491
MAR-TRE-04c86cea-24
0.491
MAR-TRE-74c6519b-33
0.490
MAR-TRE-d0525fbf-76
0.490
MAR-TRE-74c6519b-34
0.481
MAR-TRE-d0525fbf-42
0.481
MAR-TRE-7f7bb9f0-24
0.481
MAR-TRE-4b834d9a-41
0.481
MAR-TRE-74c6519b-31
0.481
MAR-TRE-7f7bb9f0-77
0.480
MAR-TRE-4b834d9a-72
0.480
MAR-TRE-4b834d9a-19
0.479
MAR-TRE-f6f5f473-18
0.477
MAR-TRE-74c6519b-28
0.476
MAR-TRE-d0525fbf-62
0.476
MAR-TRE-04c86cea-43
0.472
MAR-TRE-04c86cea-67
0.472
MAR-TRE-d0525fbf-17
0.471
MAR-TRE-04c86cea-30
0.471
MAR-TRE-7f7bb9f0-52
0.471
MAR-TRE-d0525fbf-15
0.468
MAR-TRE-74c6519b-21
0.467
MAR-TRE-d0525fbf-31
0.467
MAR-TRE-3e4e6814-29
0.467
MAR-TRE-b77b7921-44
0.464
MAR-TRE-d0525fbf-29
0.462
MAR-TRE-74c6519b-80
0.459
MAR-TRE-74c6519b-43
0.459
MAR-TRE-b77b7921-60
0.459
MAR-TRE-b77b7921-57
0.458
MAR-TRE-d0525fbf-25
0.458
MAR-TRE-d0525fbf-56
0.458
MAR-TRE-3e4e6814-40
0.458
MAR-TRE-3e4e6814-15
0.458
MAR-TRE-d0525fbf-58
0.457
MAR-TRE-d0525fbf-48
0.453
MAR-TRE-74c6519b-4
0.449
MAR-TRE-d0525fbf-20
0.445
MAR-TRE-d0525fbf-49
0.445
MAR-TRE-7f7bb9f0-40
0.444
MAR-TRE-04c86cea-92
0.443
MAR-TRE-74c6519b-62
0.441
MAR-TRE-3e4e6814-11
0.439
MAR-TRE-4b834d9a-52
0.438
MAR-TRE-74c6519b-87
0.438
MAR-TRE-74c6519b-99
0.438
MAR-TRE-3e4e6814-83
0.436
MAR-TRE-74c6519b-20
0.436
MAR-TRE-3e4e6814-91
0.436
MAR-TRE-04c86cea-3
0.435
MAR-TRE-f6f5f473-21
0.430
MAR-TRE-9c797165-19
0.427
MAR-TRE-d0525fbf-34
0.427
MAR-TRE-d0525fbf-1
0.426
MAR-TRE-b77b7921-1
0.425
MAR-TRE-4b834d9a-50
0.425
MAR-TRE-b77b7921-13
0.425
MAR-TRE-f6f5f473-7
0.423
MAR-TRE-3e4e6814-98
0.422
MAR-TRE-74c6519b-1
0.422
MAR-TRE-b77b7921-46
0.421
MAR-TRE-04c86cea-10
0.421
MAR-TRE-f6f5f473-19
0.419
MAR-TRE-b77b7921-45
0.418
MAR-TRE-04c86cea-2
0.417
MAR-TRE-d0525fbf-40
0.414
MAR-TRE-b77b7921-36
0.413
MAR-TRE-d0525fbf-13
0.411
MAR-TRE-b77b7921-25
0.409
MAR-TRE-74c6519b-40
0.409
MAR-TRE-d0525fbf-57
0.407
MAR-TRE-74c6519b-2
0.405
MAR-TRE-d0525fbf-73
0.404