Molecular Properties | |
SMILES: | Cc1ccccc1Cn1c(=O)n(Cc2cccnc2)c(=O)c2ncccc21 |
MW: | 358.14 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 69.78 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9559487948 |
MolPort: | MolPort-003-122-275 |
Filter82_pyridinium
MAR-TRE-74c6519b-94
0.733
MAR-TRE-b77b7921-32
0.727
MAR-TRE-b77b7921-41
0.727
MAR-TRE-f6f5f473-11
0.722
MAR-TRE-04c86cea-50
0.699
MAR-TRE-b77b7921-49
0.641
MAR-TRE-d0525fbf-16
0.630
MAR-TRE-04c86cea-98
0.614
MAR-TRE-b77b7921-33
0.610
MAR-TRE-d0525fbf-73
0.595
MAR-TRE-04c86cea-59
0.567
MAR-TRE-74c6519b-20
0.543
MAR-TRE-b77b7921-13
0.533
MAR-TRE-04c86cea-18
0.533
MAR-TRE-b77b7921-46
0.527
MAR-TRE-04c86cea-8
0.522
MAR-TRE-b77b7921-45
0.521
MAR-TRE-b77b7921-25
0.511
MAR-TRE-74c6519b-99
0.510
MAR-TRE-3e4e6814-99
0.506
MAR-TRE-74c6519b-80
0.505
MAR-TRE-74c6519b-2
0.490
MAR-TRE-3e4e6814-91
0.480
MAR-TRE-3e4e6814-83
0.480
MAR-TRE-b77b7921-86
0.477
MAR-TRE-b77b7921-50
0.473
MAR-TRE-f6f5f473-86
0.471
MAR-TRE-f6f5f473-49
0.467
MAR-TRE-4b834d9a-34
0.466
MAR-TRE-f6f5f473-13
0.450
MAR-TRE-b77b7921-64
0.449
MAR-TRE-4b834d9a-80
0.444
MAR-TRE-b77b7921-37
0.444
MAR-TRE-7f7bb9f0-10
0.444
MAR-TRE-3e4e6814-42
0.440
MAR-TRE-b77b7921-76
0.438
MAR-TRE-3e4e6814-30
0.438
MAR-TRE-d0525fbf-18
0.435
MAR-TRE-04c86cea-37
0.434
MAR-TRE-d0525fbf-86
0.433
MAR-TRE-d0525fbf-59
0.433
MAR-TRE-04c86cea-61
0.432
MAR-TRE-f6f5f473-10
0.432
MAR-TRE-b77b7921-62
0.430
MAR-TRE-b77b7921-51
0.430
MAR-TRE-3e4e6814-32
0.429
MAR-TRE-3e4e6814-77
0.426
MAR-TRE-d0525fbf-46
0.424
MAR-TRE-d0525fbf-67
0.419
MAR-TRE-74c6519b-83
0.419
MAR-TRE-74c6519b-32
0.410
MAR-TRE-9c797165-19
0.409
MAR-TRE-f6f5f473-32
0.406
MAR-TRE-3e4e6814-44
0.400
MAR-TRE-04c86cea-92
0.400
MAR-TRE-b77b7921-14
0.394
MAR-TRE-d0525fbf-29
0.392
MAR-TRE-74c6519b-15
0.392
MAR-TRE-b77b7921-12
0.392
MAR-TRE-b77b7921-79
0.392
MAR-TRE-4b834d9a-81
0.392
MAR-TRE-74c6519b-38
0.392
MAR-TRE-b77b7921-31
0.388
MAR-TRE-f6f5f473-5
0.388
MAR-TRE-4b834d9a-19
0.387
MAR-TRE-f6f5f473-21
0.386
MAR-TRE-04c86cea-22
0.382
MAR-TRE-b77b7921-36
0.381
MAR-TRE-f6f5f473-60
0.381
MAR-TRE-3e4e6814-48
0.380
MAR-TRE-4b834d9a-52
0.380
MAR-TRE-74c6519b-33
0.379
MAR-TRE-d0525fbf-34
0.378
MAR-TRE-f6f5f473-7
0.378
MAR-TRE-74c6519b-28
0.376
MAR-TRE-f6f5f473-38
0.376
MAR-TRE-d0525fbf-56
0.375
MAR-TRE-04c86cea-15
0.375
MAR-TRE-74c6519b-37
0.375
MAR-TRE-f6f5f473-19
0.374
MAR-TRE-04c86cea-30
0.373
MAR-TRE-d0525fbf-42
0.371
MAR-TRE-74c6519b-22
0.370
MAR-TRE-3e4e6814-11
0.369
MAR-TRE-3e4e6814-29
0.369
MAR-TRE-74c6519b-31
0.369
MAR-TRE-74c6519b-89
0.369
MAR-TRE-b77b7921-82
0.369
MAR-TRE-4b834d9a-50
0.366
MAR-TRE-4b834d9a-72
0.366
MAR-TRE-74c6519b-74
0.366
MAR-TRE-d0525fbf-27
0.365
MAR-TRE-b77b7921-60
0.364
MAR-TRE-d0525fbf-47
0.363
MAR-TRE-04c86cea-2
0.359
MAR-TRE-4b834d9a-28
0.358
MAR-TRE-f6f5f473-48
0.357
MAR-TRE-7f7bb9f0-52
0.356
MAR-TRE-d0525fbf-19
0.356
MAR-TRE-04c86cea-23
0.356