Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2ncccc21)Nc1cccc2ccccc12 |
MW: | 436.15 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 3.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5037963697 |
MolPort: | MolPort-003-107-986 |
Filter82_pyridinium
MAR-TRE-4b834d9a-41
0.638
MAR-TRE-4b834d9a-72
0.606
MAR-TRE-04c86cea-2
0.594
MAR-TRE-04c86cea-30
0.594
MAR-TRE-f6f5f473-7
0.591
MAR-TRE-f6f5f473-21
0.577
MAR-TRE-b77b7921-60
0.574
MAR-TRE-4b834d9a-50
0.573
MAR-TRE-4b834d9a-52
0.573
MAR-TRE-d0525fbf-47
0.567
MAR-TRE-3e4e6814-32
0.561
MAR-TRE-04c86cea-92
0.561
MAR-TRE-4b834d9a-81
0.558
MAR-TRE-74c6519b-32
0.556
MAR-TRE-74c6519b-15
0.550
MAR-TRE-d0525fbf-27
0.550
MAR-TRE-b77b7921-42
0.549
MAR-TRE-d0525fbf-17
0.545
MAR-TRE-b77b7921-82
0.540
MAR-TRE-7f7bb9f0-24
0.525
MAR-TRE-4b834d9a-28
0.524
MAR-TRE-d0525fbf-42
0.524
MAR-TRE-b77b7921-46
0.520
MAR-TRE-74c6519b-33
0.520
MAR-TRE-74c6519b-37
0.515
MAR-TRE-4b834d9a-19
0.511
MAR-TRE-3e4e6814-29
0.510
MAR-TRE-74c6519b-31
0.510
MAR-TRE-74c6519b-21
0.510
MAR-TRE-d0525fbf-15
0.509
MAR-TRE-d0525fbf-58
0.500
MAR-TRE-7f7bb9f0-52
0.500
MAR-TRE-3e4e6814-99
0.500
MAR-TRE-74c6519b-80
0.500
MAR-TRE-d0525fbf-48
0.495
MAR-TRE-04c86cea-22
0.495
MAR-TRE-d0525fbf-1
0.495
MAR-TRE-7f7bb9f0-77
0.495
MAR-TRE-74c6519b-74
0.495
MAR-TRE-b77b7921-1
0.495
MAR-TRE-3e4e6814-48
0.495
MAR-TRE-3e4e6814-46
0.491
MAR-TRE-b77b7921-25
0.490
MAR-TRE-74c6519b-28
0.490
MAR-TRE-d0525fbf-25
0.486
MAR-TRE-04c86cea-67
0.486
MAR-TRE-b77b7921-57
0.486
MAR-TRE-74c6519b-62
0.481
MAR-TRE-d0525fbf-31
0.481
MAR-TRE-04c86cea-23
0.481
MAR-TRE-3e4e6814-11
0.481
MAR-TRE-b77b7921-58
0.480
MAR-TRE-74c6519b-87
0.477
MAR-TRE-f6f5f473-60
0.477
MAR-TRE-3e4e6814-83
0.477
MAR-TRE-d0525fbf-60
0.476
MAR-TRE-d0525fbf-29
0.476
MAR-TRE-3e4e6814-98
0.476
MAR-TRE-74c6519b-65
0.475
MAR-TRE-9c797165-19
0.473
MAR-TRE-d0525fbf-20
0.472
MAR-TRE-7f7bb9f0-40
0.472
MAR-TRE-d0525fbf-56
0.472
MAR-TRE-f6f5f473-5
0.472
MAR-TRE-b77b7921-50
0.471
MAR-TRE-74c6519b-34
0.468
MAR-TRE-3e4e6814-91
0.463
MAR-TRE-04c86cea-24
0.463
MAR-TRE-04c86cea-42
0.463
MAR-TRE-74c6519b-40
0.462
MAR-TRE-74c6519b-2
0.458
MAR-TRE-04c86cea-50
0.457
MAR-TRE-04c86cea-99
0.454
MAR-TRE-3e4e6814-30
0.452
MAR-TRE-b77b7921-65
0.450
MAR-TRE-74c6519b-99
0.450
MAR-TRE-74c6519b-20
0.450
MAR-TRE-4b834d9a-34
0.449
MAR-TRE-d0525fbf-62
0.448
MAR-TRE-3e4e6814-40
0.444
MAR-TRE-b77b7921-45
0.444
MAR-TRE-04c86cea-43
0.444
MAR-TRE-f6f5f473-57
0.441
MAR-TRE-b77b7921-13
0.438
MAR-TRE-74c6519b-1
0.435
MAR-TRE-f6f5f473-48
0.435
MAR-TRE-d0525fbf-76
0.434
MAR-TRE-d0525fbf-73
0.433
MAR-TRE-3e4e6814-15
0.431
MAR-TRE-04c86cea-8
0.430
MAR-TRE-d0525fbf-32
0.429
MAR-TRE-f6f5f473-3
0.427
MAR-TRE-b77b7921-36
0.427
MAR-TRE-04c86cea-3
0.422
MAR-TRE-d0525fbf-49
0.420
MAR-TRE-74c6519b-43
0.420
MAR-TRE-d0525fbf-40
0.414
MAR-TRE-74c6519b-84
0.414
MAR-TRE-b77b7921-6
0.414
MAR-TRE-f6f5f473-64
0.413