Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)NCc1ccccc1Cl |
MW: | 434.11 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8385435620 |
MolPort: | MolPort-003-108-031 |
Filter82_pyridinium
MAR-TRE-d0525fbf-29
0.829
MAR-TRE-74c6519b-20
0.800
MAR-TRE-74c6519b-4
0.744
MAR-TRE-b77b7921-28
0.719
MAR-TRE-4b834d9a-50
0.718
MAR-TRE-04c86cea-2
0.682
MAR-TRE-f6f5f473-21
0.682
MAR-TRE-f6f5f473-7
0.663
MAR-TRE-4b834d9a-52
0.659
MAR-TRE-4b834d9a-28
0.617
MAR-TRE-b77b7921-46
0.615
MAR-TRE-b77b7921-1
0.587
MAR-TRE-4b834d9a-72
0.587
MAR-TRE-d0525fbf-60
0.579
MAR-TRE-74c6519b-40
0.579
MAR-TRE-04c86cea-30
0.574
MAR-TRE-04c86cea-23
0.568
MAR-TRE-4b834d9a-41
0.568
MAR-TRE-f6f5f473-18
0.561
MAR-TRE-4b834d9a-81
0.554
MAR-TRE-d0525fbf-1
0.552
MAR-TRE-3e4e6814-11
0.552
MAR-TRE-b77b7921-25
0.546
MAR-TRE-b77b7921-60
0.540
MAR-TRE-4b834d9a-19
0.539
MAR-TRE-74c6519b-2
0.525
MAR-TRE-b77b7921-45
0.525
MAR-TRE-04c86cea-69
0.521
MAR-TRE-b77b7921-82
0.520
MAR-TRE-74c6519b-32
0.520
MAR-TRE-b77b7921-32
0.516
MAR-TRE-3e4e6814-99
0.512
MAR-TRE-d0525fbf-61
0.505
MAR-TRE-4b834d9a-95
0.500
MAR-TRE-d0525fbf-27
0.500
MAR-TRE-04c86cea-3
0.500
MAR-TRE-4b834d9a-55
0.500
MAR-TRE-74c6519b-1
0.500
MAR-TRE-7f7bb9f0-52
0.495
MAR-TRE-d0525fbf-32
0.490
MAR-TRE-d0525fbf-47
0.485
MAR-TRE-74c6519b-65
0.484
MAR-TRE-04c86cea-50
0.483
MAR-TRE-9c797165-19
0.483
MAR-TRE-d0525fbf-57
0.481
MAR-TRE-7f7bb9f0-40
0.480
MAR-TRE-d0525fbf-56
0.480
MAR-TRE-d0525fbf-58
0.480
MAR-TRE-3e4e6814-32
0.480
MAR-TRE-04c86cea-66
0.476
MAR-TRE-d0525fbf-42
0.476
MAR-TRE-b77b7921-6
0.476
MAR-TRE-74c6519b-31
0.475
MAR-TRE-7f7bb9f0-77
0.475
MAR-TRE-3e4e6814-30
0.475
MAR-TRE-3e4e6814-48
0.475
MAR-TRE-74c6519b-74
0.475
MAR-TRE-b77b7921-58
0.474
MAR-TRE-4b834d9a-34
0.473
MAR-TRE-74c6519b-15
0.471
MAR-TRE-4b834d9a-76
0.470
MAR-TRE-74c6519b-28
0.470
MAR-TRE-f6f5f473-48
0.468
MAR-TRE-d0525fbf-20
0.467
MAR-TRE-d0525fbf-25
0.466
MAR-TRE-d0525fbf-17
0.465
MAR-TRE-d0525fbf-40
0.462
MAR-TRE-04c86cea-55
0.461
MAR-TRE-04c86cea-22
0.461
MAR-TRE-f6f5f473-50
0.461
MAR-TRE-7f7bb9f0-24
0.461
MAR-TRE-d0525fbf-48
0.461
MAR-TRE-3e4e6814-29
0.461
MAR-TRE-b77b7921-13
0.460
MAR-TRE-74c6519b-99
0.458
MAR-TRE-3e4e6814-83
0.457
MAR-TRE-b77b7921-42
0.457
MAR-TRE-d0525fbf-73
0.457
MAR-TRE-b77b7921-64
0.456
MAR-TRE-d0525fbf-12
0.456
MAR-TRE-74c6519b-33
0.456
MAR-TRE-04c86cea-61
0.455
MAR-TRE-74c6519b-80
0.454
MAR-TRE-04c86cea-67
0.452
MAR-TRE-74c6519b-37
0.452
MAR-TRE-b77b7921-57
0.452
MAR-TRE-04c86cea-8
0.451
MAR-TRE-74c6519b-62
0.449
MAR-TRE-74c6519b-21
0.448
MAR-TRE-d0525fbf-31
0.448
MAR-TRE-f6f5f473-60
0.443
MAR-TRE-d0525fbf-13
0.443
MAR-TRE-3e4e6814-46
0.443
MAR-TRE-d0525fbf-62
0.441
MAR-TRE-d0525fbf-15
0.435
MAR-TRE-b77b7921-36
0.434
MAR-TRE-b77b7921-56
0.434
MAR-TRE-74c6519b-87
0.431
MAR-TRE-04c86cea-42
0.430
MAR-TRE-3e4e6814-91
0.430