Molecular Properties | |
SMILES: | Cc1cc(C)cc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)c1 |
MW: | 420.13 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3394595807 |
MolPort: | MolPort-005-279-344 |
Filter82_pyridinium
MAR-TRE-f6f5f473-3
0.779
MAR-TRE-74c6519b-28
0.721
MAR-TRE-f6f5f473-5
0.708
MAR-TRE-74c6519b-84
0.700
MAR-TRE-f6f5f473-57
0.696
MAR-TRE-f6f5f473-60
0.656
MAR-TRE-04c86cea-66
0.645
MAR-TRE-d0525fbf-61
0.613
MAR-TRE-04c86cea-23
0.613
MAR-TRE-f6f5f473-15
0.613
MAR-TRE-b77b7921-6
0.594
MAR-TRE-04c86cea-29
0.593
MAR-TRE-b77b7921-28
0.588
MAR-TRE-3e4e6814-48
0.564
MAR-TRE-3e4e6814-29
0.562
MAR-TRE-04c86cea-43
0.551
MAR-TRE-04c86cea-67
0.535
MAR-TRE-7f7bb9f0-77
0.531
MAR-TRE-d0525fbf-76
0.526
MAR-TRE-d0525fbf-56
0.520
MAR-TRE-4b834d9a-81
0.516
MAR-TRE-b77b7921-58
0.516
MAR-TRE-4b834d9a-72
0.515
MAR-TRE-74c6519b-74
0.515
MAR-TRE-74c6519b-31
0.515
MAR-TRE-d0525fbf-31
0.515
MAR-TRE-7f7bb9f0-52
0.505
MAR-TRE-d0525fbf-58
0.505
MAR-TRE-74c6519b-37
0.505
MAR-TRE-b77b7921-57
0.505
MAR-TRE-74c6519b-43
0.505
MAR-TRE-04c86cea-99
0.500
MAR-TRE-d0525fbf-48
0.500
MAR-TRE-b77b7921-82
0.500
MAR-TRE-74c6519b-99
0.495
MAR-TRE-04c86cea-42
0.495
MAR-TRE-74c6519b-33
0.495
MAR-TRE-d0525fbf-62
0.495
MAR-TRE-b77b7921-60
0.490
MAR-TRE-d0525fbf-20
0.490
MAR-TRE-3e4e6814-40
0.490
MAR-TRE-d0525fbf-25
0.490
MAR-TRE-7f7bb9f0-40
0.490
MAR-TRE-3e4e6814-15
0.490
MAR-TRE-3e4e6814-32
0.490
MAR-TRE-04c86cea-30
0.490
MAR-TRE-74c6519b-62
0.486
MAR-TRE-4b834d9a-19
0.484
MAR-TRE-74c6519b-87
0.481
MAR-TRE-3e4e6814-91
0.481
MAR-TRE-04c86cea-24
0.481
MAR-TRE-3e4e6814-83
0.481
MAR-TRE-d0525fbf-49
0.476
MAR-TRE-74c6519b-21
0.471
MAR-TRE-d0525fbf-42
0.471
MAR-TRE-74c6519b-15
0.466
MAR-TRE-d0525fbf-27
0.466
MAR-TRE-74c6519b-34
0.458
MAR-TRE-74c6519b-32
0.456
MAR-TRE-7f7bb9f0-24
0.456
MAR-TRE-04c86cea-22
0.456
MAR-TRE-3e4e6814-11
0.456
MAR-TRE-3e4e6814-46
0.453
MAR-TRE-d0525fbf-47
0.451
MAR-TRE-74c6519b-80
0.450
MAR-TRE-d0525fbf-17
0.447
MAR-TRE-d0525fbf-15
0.444
MAR-TRE-4b834d9a-41
0.442
MAR-TRE-b77b7921-42
0.439
MAR-TRE-74c6519b-40
0.438
MAR-TRE-04c86cea-3
0.438
MAR-TRE-3e4e6814-98
0.438
MAR-TRE-f6f5f473-38
0.437
MAR-TRE-b77b7921-45
0.434
MAR-TRE-f6f5f473-21
0.433
MAR-TRE-9c797165-19
0.430
MAR-TRE-04c86cea-59
0.429
MAR-TRE-b77b7921-65
0.427
MAR-TRE-4b834d9a-52
0.427
MAR-TRE-b77b7921-13
0.427
MAR-TRE-d0525fbf-40
0.417
MAR-TRE-b77b7921-36
0.416
MAR-TRE-d0525fbf-1
0.415
MAR-TRE-d0525fbf-34
0.415
MAR-TRE-4b834d9a-50
0.413
MAR-TRE-b77b7921-1
0.413
MAR-TRE-f6f5f473-18
0.413
MAR-TRE-d0525fbf-13
0.413
MAR-TRE-f6f5f473-7
0.412
MAR-TRE-d0525fbf-29
0.411
MAR-TRE-b77b7921-46
0.410
MAR-TRE-04c86cea-10
0.410
MAR-TRE-d0525fbf-57
0.409
MAR-TRE-d0525fbf-73
0.406
MAR-TRE-04c86cea-8
0.406
MAR-TRE-b77b7921-44
0.404
MAR-TRE-74c6519b-1
0.398
MAR-TRE-74c6519b-4
0.398
MAR-TRE-b77b7921-25
0.398
MAR-TRE-d0525fbf-60
0.398