Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21)NCc1ccccc1Cl |
MW: | 435.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.88 |
cLogP: | 1.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6957830045 |
MolPort: | MolPort-003-122-267 |
Filter82_pyridinium
MAR-TRE-04c86cea-92
0.800
MAR-TRE-d0525fbf-29
0.782
MAR-TRE-b77b7921-46
0.727
MAR-TRE-74c6519b-4
0.703
MAR-TRE-b77b7921-28
0.699
MAR-TRE-b77b7921-32
0.678
MAR-TRE-74c6519b-2
0.677
MAR-TRE-b77b7921-45
0.677
MAR-TRE-b77b7921-25
0.649
MAR-TRE-d0525fbf-73
0.616
MAR-TRE-b77b7921-13
0.606
MAR-TRE-3e4e6814-83
0.596
MAR-TRE-74c6519b-99
0.594
MAR-TRE-04c86cea-8
0.594
MAR-TRE-4b834d9a-50
0.573
MAR-TRE-4b834d9a-52
0.573
MAR-TRE-74c6519b-80
0.573
MAR-TRE-3e4e6814-91
0.564
MAR-TRE-04c86cea-50
0.557
MAR-TRE-04c86cea-2
0.545
MAR-TRE-f6f5f473-21
0.545
MAR-TRE-04c86cea-26
0.543
MAR-TRE-04c86cea-59
0.540
MAR-TRE-b77b7921-41
0.537
MAR-TRE-f6f5f473-7
0.526
MAR-TRE-d0525fbf-1
0.525
MAR-TRE-3e4e6814-11
0.525
MAR-TRE-d0525fbf-60
0.520
MAR-TRE-74c6519b-40
0.520
MAR-TRE-b77b7921-49
0.516
MAR-TRE-b77b7921-33
0.510
MAR-TRE-b77b7921-1
0.510
MAR-TRE-04c86cea-23
0.510
MAR-TRE-4b834d9a-28
0.495
MAR-TRE-74c6519b-32
0.495
MAR-TRE-4b834d9a-81
0.495
MAR-TRE-04c86cea-69
0.495
MAR-TRE-4b834d9a-19
0.495
MAR-TRE-d0525fbf-61
0.481
MAR-TRE-d0525fbf-16
0.480
MAR-TRE-d0525fbf-27
0.476
MAR-TRE-74c6519b-1
0.476
MAR-TRE-04c86cea-3
0.476
MAR-TRE-4b834d9a-76
0.476
MAR-TRE-f6f5f473-11
0.475
MAR-TRE-4b834d9a-95
0.474
MAR-TRE-4b834d9a-55
0.474
MAR-TRE-7f7bb9f0-52
0.471
MAR-TRE-04c86cea-66
0.467
MAR-TRE-b77b7921-6
0.467
MAR-TRE-4b834d9a-72
0.466
MAR-TRE-d0525fbf-12
0.462
MAR-TRE-d0525fbf-47
0.462
MAR-TRE-d0525fbf-57
0.459
MAR-TRE-d0525fbf-56
0.458
MAR-TRE-7f7bb9f0-40
0.458
MAR-TRE-9c797165-19
0.457
MAR-TRE-3e4e6814-32
0.457
MAR-TRE-04c86cea-30
0.457
MAR-TRE-d0525fbf-58
0.457
MAR-TRE-d0525fbf-32
0.455
MAR-TRE-b77b7921-82
0.453
MAR-TRE-4b834d9a-41
0.453
MAR-TRE-74c6519b-31
0.453
MAR-TRE-f6f5f473-50
0.453
MAR-TRE-3e4e6814-48
0.452
MAR-TRE-74c6519b-74
0.452
MAR-TRE-7f7bb9f0-77
0.452
MAR-TRE-f6f5f473-18
0.450
MAR-TRE-74c6519b-15
0.449
MAR-TRE-74c6519b-28
0.448
MAR-TRE-b77b7921-60
0.445
MAR-TRE-d0525fbf-40
0.440
MAR-TRE-d0525fbf-42
0.440
MAR-TRE-d0525fbf-48
0.439
MAR-TRE-3e4e6814-29
0.439
MAR-TRE-04c86cea-22
0.439
MAR-TRE-7f7bb9f0-24
0.439
MAR-TRE-f6f5f473-60
0.436
MAR-TRE-b77b7921-64
0.435
MAR-TRE-74c6519b-33
0.435
MAR-TRE-d0525fbf-20
0.432
MAR-TRE-d0525fbf-25
0.431
MAR-TRE-74c6519b-37
0.431
MAR-TRE-d0525fbf-17
0.430
MAR-TRE-3e4e6814-46
0.423
MAR-TRE-b77b7921-42
0.423
MAR-TRE-d0525fbf-13
0.423
MAR-TRE-b77b7921-58
0.423
MAR-TRE-d0525fbf-62
0.421
MAR-TRE-04c86cea-67
0.418
MAR-TRE-b77b7921-57
0.418
MAR-TRE-74c6519b-65
0.417
MAR-TRE-74c6519b-62
0.416
MAR-TRE-d0525fbf-31
0.414
MAR-TRE-74c6519b-21
0.414
MAR-TRE-b77b7921-36
0.413
MAR-TRE-74c6519b-87
0.412
MAR-TRE-04c86cea-42
0.411
MAR-TRE-04c86cea-10
0.407