Molecular Properties | |
SMILES: | O=c1c2ncccc2n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccncc1 |
MW: | 412.05 |
Fraction sp3: | 0.1 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 3.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2641662598 |
MolPort: | MolPort-003-122-372 |
Filter82_pyridinium
MAR-TRE-74c6519b-83
0.720
MAR-TRE-4b834d9a-80
0.716
MAR-TRE-3e4e6814-99
0.700
MAR-TRE-7f7bb9f0-10
0.693
MAR-TRE-74c6519b-94
0.608
MAR-TRE-9c797165-19
0.592
MAR-TRE-d0525fbf-46
0.561
MAR-TRE-b77b7921-50
0.558
MAR-TRE-d0525fbf-59
0.556
MAR-TRE-3e4e6814-42
0.542
MAR-TRE-b77b7921-36
0.541
MAR-TRE-4b834d9a-34
0.537
MAR-TRE-d0525fbf-67
0.536
MAR-TRE-b77b7921-33
0.536
MAR-TRE-7f7bb9f0-52
0.523
MAR-TRE-d0525fbf-58
0.522
MAR-TRE-7f7bb9f0-40
0.522
MAR-TRE-d0525fbf-56
0.522
MAR-TRE-4b834d9a-81
0.517
MAR-TRE-74c6519b-74
0.517
MAR-TRE-04c86cea-50
0.512
MAR-TRE-b77b7921-62
0.512
MAR-TRE-74c6519b-28
0.511
MAR-TRE-d0525fbf-27
0.511
MAR-TRE-d0525fbf-29
0.511
MAR-TRE-b77b7921-49
0.506
MAR-TRE-3e4e6814-32
0.505
MAR-TRE-d0525fbf-16
0.500
MAR-TRE-d0525fbf-42
0.500
MAR-TRE-4b834d9a-52
0.500
MAR-TRE-7f7bb9f0-77
0.500
MAR-TRE-d0525fbf-1
0.500
MAR-TRE-d0525fbf-48
0.500
MAR-TRE-3e4e6814-11
0.500
MAR-TRE-3e4e6814-29
0.500
MAR-TRE-3e4e6814-48
0.500
MAR-TRE-74c6519b-31
0.500
MAR-TRE-7f7bb9f0-24
0.500
MAR-TRE-74c6519b-33
0.495
MAR-TRE-b77b7921-79
0.495
MAR-TRE-d0525fbf-47
0.495
MAR-TRE-04c86cea-61
0.494
MAR-TRE-d0525fbf-20
0.490
MAR-TRE-74c6519b-37
0.489
MAR-TRE-b77b7921-76
0.488
MAR-TRE-f6f5f473-86
0.488
MAR-TRE-74c6519b-32
0.484
MAR-TRE-b77b7921-14
0.484
MAR-TRE-f6f5f473-49
0.483
MAR-TRE-d0525fbf-18
0.483
MAR-TRE-4b834d9a-19
0.482
MAR-TRE-74c6519b-15
0.479
MAR-TRE-b77b7921-64
0.479
MAR-TRE-b77b7921-32
0.477
MAR-TRE-b77b7921-51
0.477
MAR-TRE-b77b7921-12
0.463
MAR-TRE-04c86cea-37
0.463
MAR-TRE-74c6519b-22
0.450
MAR-TRE-f6f5f473-11
0.446
MAR-TRE-3e4e6814-77
0.440
MAR-TRE-3e4e6814-30
0.436
MAR-TRE-f6f5f473-13
0.434
MAR-TRE-04c86cea-26
0.433
MAR-TRE-04c86cea-98
0.433
MAR-TRE-b77b7921-37
0.429
MAR-TRE-b77b7921-41
0.429
MAR-TRE-74c6519b-62
0.426
MAR-TRE-b77b7921-24
0.424
MAR-TRE-74c6519b-38
0.419
MAR-TRE-d0525fbf-25
0.414
MAR-TRE-d0525fbf-73
0.414
MAR-TRE-3e4e6814-44
0.413
MAR-TRE-d0525fbf-17
0.412
MAR-TRE-d0525fbf-19
0.411
MAR-TRE-b77b7921-82
0.408
MAR-TRE-74c6519b-87
0.408
MAR-TRE-74c6519b-99
0.408
MAR-TRE-3e4e6814-83
0.406
MAR-TRE-f6f5f473-32
0.404
MAR-TRE-b77b7921-60
0.402
MAR-TRE-04c86cea-15
0.400
MAR-TRE-b77b7921-57
0.400
MAR-TRE-04c86cea-67
0.400
MAR-TRE-d0525fbf-15
0.398
MAR-TRE-04c86cea-92
0.398
MAR-TRE-74c6519b-21
0.396
MAR-TRE-b77b7921-21
0.396
MAR-TRE-d0525fbf-31
0.396
MAR-TRE-b77b7921-86
0.396
MAR-TRE-4b834d9a-41
0.394
MAR-TRE-b77b7921-42
0.392
MAR-TRE-4b834d9a-72
0.392
MAR-TRE-74c6519b-80
0.390
MAR-TRE-9c797165-93
0.390
MAR-TRE-f6f5f473-7
0.389
MAR-TRE-b77b7921-31
0.386
MAR-TRE-04c86cea-2
0.384
MAR-TRE-04c86cea-30
0.384
MAR-TRE-f6f5f473-21
0.384
MAR-TRE-b77b7921-56
0.382