Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)cc1Cl |
MW: | 435.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2624951821 |
MolPort: | MolPort-003-122-153 |
Filter82_pyridinium
MAR-TRE-d0525fbf-49
0.778
MAR-TRE-d0525fbf-56
0.764
MAR-TRE-04c86cea-43
0.725
MAR-TRE-3e4e6814-40
0.725
MAR-TRE-d0525fbf-62
0.719
MAR-TRE-74c6519b-99
0.705
MAR-TRE-b77b7921-58
0.693
MAR-TRE-04c86cea-42
0.691
MAR-TRE-3e4e6814-15
0.688
MAR-TRE-d0525fbf-76
0.681
MAR-TRE-74c6519b-34
0.677
MAR-TRE-3e4e6814-46
0.656
MAR-TRE-04c86cea-24
0.656
MAR-TRE-04c86cea-99
0.646
MAR-TRE-04c86cea-22
0.615
MAR-TRE-74c6519b-4
0.592
MAR-TRE-d0525fbf-34
0.586
MAR-TRE-7f7bb9f0-40
0.586
MAR-TRE-f6f5f473-38
0.577
MAR-TRE-04c86cea-3
0.576
MAR-TRE-d0525fbf-20
0.569
MAR-TRE-b77b7921-1
0.567
MAR-TRE-3e4e6814-48
0.567
MAR-TRE-04c86cea-10
0.561
MAR-TRE-3e4e6814-29
0.550
MAR-TRE-74c6519b-28
0.545
MAR-TRE-74c6519b-1
0.545
MAR-TRE-7f7bb9f0-52
0.541
MAR-TRE-d0525fbf-58
0.540
MAR-TRE-4b834d9a-81
0.536
MAR-TRE-74c6519b-74
0.535
MAR-TRE-74c6519b-31
0.535
MAR-TRE-f6f5f473-19
0.531
MAR-TRE-3e4e6814-32
0.525
MAR-TRE-7f7bb9f0-77
0.520
MAR-TRE-d0525fbf-48
0.520
MAR-TRE-d0525fbf-42
0.519
MAR-TRE-f6f5f473-3
0.519
MAR-TRE-74c6519b-33
0.515
MAR-TRE-f6f5f473-86
0.511
MAR-TRE-04c86cea-30
0.510
MAR-TRE-04c86cea-67
0.510
MAR-TRE-b77b7921-60
0.509
MAR-TRE-74c6519b-83
0.505
MAR-TRE-4b834d9a-72
0.505
MAR-TRE-f6f5f473-64
0.505
MAR-TRE-74c6519b-62
0.505
MAR-TRE-d0525fbf-27
0.500
MAR-TRE-b77b7921-62
0.500
MAR-TRE-3e4e6814-83
0.500
MAR-TRE-d0525fbf-25
0.495
MAR-TRE-f6f5f473-5
0.495
MAR-TRE-74c6519b-37
0.495
MAR-TRE-3e4e6814-77
0.495
MAR-TRE-74c6519b-84
0.491
MAR-TRE-74c6519b-32
0.490
MAR-TRE-b77b7921-82
0.490
MAR-TRE-74c6519b-38
0.490
MAR-TRE-f6f5f473-49
0.490
MAR-TRE-74c6519b-87
0.486
MAR-TRE-74c6519b-15
0.486
MAR-TRE-b77b7921-57
0.481
MAR-TRE-b77b7921-76
0.479
MAR-TRE-f6f5f473-57
0.477
MAR-TRE-d0525fbf-31
0.477
MAR-TRE-d0525fbf-18
0.475
MAR-TRE-3e4e6814-91
0.472
MAR-TRE-d0525fbf-47
0.471
MAR-TRE-74c6519b-80
0.468
MAR-TRE-7f7bb9f0-24
0.462
MAR-TRE-4b834d9a-19
0.459
MAR-TRE-f6f5f473-60
0.459
MAR-TRE-d0525fbf-29
0.458
MAR-TRE-b77b7921-51
0.455
MAR-TRE-b77b7921-86
0.455
MAR-TRE-74c6519b-21
0.450
MAR-TRE-3e4e6814-11
0.449
MAR-TRE-4b834d9a-41
0.449
MAR-TRE-4b834d9a-52
0.448
MAR-TRE-d0525fbf-17
0.439
MAR-TRE-9c797165-19
0.438
MAR-TRE-b77b7921-65
0.434
MAR-TRE-f6f5f473-7
0.433
MAR-TRE-b77b7921-28
0.432
MAR-TRE-b77b7921-42
0.432
MAR-TRE-3e4e6814-98
0.431
MAR-TRE-f6f5f473-10
0.429
MAR-TRE-f6f5f473-21
0.426
MAR-TRE-04c86cea-92
0.426
MAR-TRE-d0525fbf-15
0.425
MAR-TRE-d0525fbf-1
0.422
MAR-TRE-f6f5f473-18
0.420
MAR-TRE-04c86cea-66
0.411
MAR-TRE-b77b7921-36
0.410
MAR-TRE-04c86cea-23
0.409
MAR-TRE-4b834d9a-50
0.407
MAR-TRE-74c6519b-20
0.407
MAR-TRE-74c6519b-40
0.405
MAR-TRE-d0525fbf-57
0.404
MAR-TRE-04c86cea-2
0.400