Molecular Properties | |
SMILES: | Cc1ccccc1Cn1c(=O)n(Cc2ccncc2)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-3376812102 |
MolPort: | MolPort-003-122-363 |
Filter82_pyridinium
MAR-TRE-04c86cea-26
0.733
MAR-TRE-3e4e6814-99
0.690
MAR-TRE-b77b7921-50
0.646
MAR-TRE-04c86cea-98
0.628
MAR-TRE-7f7bb9f0-10
0.620
MAR-TRE-d0525fbf-86
0.608
MAR-TRE-4b834d9a-80
0.600
MAR-TRE-3e4e6814-32
0.586
MAR-TRE-9c797165-19
0.584
MAR-TRE-74c6519b-32
0.562
MAR-TRE-04c86cea-18
0.562
MAR-TRE-4b834d9a-81
0.547
MAR-TRE-b77b7921-32
0.541
MAR-TRE-f6f5f473-11
0.540
MAR-TRE-d0525fbf-29
0.538
MAR-TRE-74c6519b-15
0.538
MAR-TRE-b77b7921-36
0.535
MAR-TRE-3e4e6814-48
0.528
MAR-TRE-b77b7921-41
0.523
MAR-TRE-74c6519b-28
0.522
MAR-TRE-74c6519b-33
0.522
MAR-TRE-f6f5f473-86
0.518
MAR-TRE-74c6519b-37
0.516
MAR-TRE-d0525fbf-56
0.516
MAR-TRE-4b834d9a-52
0.511
MAR-TRE-74c6519b-74
0.511
MAR-TRE-3e4e6814-11
0.511
MAR-TRE-3e4e6814-29
0.511
MAR-TRE-d0525fbf-42
0.511
MAR-TRE-04c86cea-50
0.506
MAR-TRE-b77b7921-86
0.506
MAR-TRE-d0525fbf-47
0.505
MAR-TRE-d0525fbf-27
0.505
MAR-TRE-7f7bb9f0-52
0.500
MAR-TRE-74c6519b-31
0.495
MAR-TRE-7f7bb9f0-77
0.495
MAR-TRE-4b834d9a-34
0.494
MAR-TRE-d0525fbf-58
0.484
MAR-TRE-3e4e6814-42
0.483
MAR-TRE-b77b7921-76
0.482
MAR-TRE-7f7bb9f0-24
0.479
MAR-TRE-d0525fbf-1
0.479
MAR-TRE-d0525fbf-48
0.479
MAR-TRE-f6f5f473-49
0.477
MAR-TRE-d0525fbf-59
0.477
MAR-TRE-f6f5f473-13
0.474
MAR-TRE-b77b7921-64
0.474
MAR-TRE-7f7bb9f0-40
0.469
MAR-TRE-3e4e6814-77
0.467
MAR-TRE-d0525fbf-46
0.466
MAR-TRE-b77b7921-49
0.465
MAR-TRE-d0525fbf-18
0.461
MAR-TRE-d0525fbf-67
0.461
MAR-TRE-74c6519b-83
0.461
MAR-TRE-f6f5f473-10
0.457
MAR-TRE-b77b7921-62
0.456
MAR-TRE-b77b7921-37
0.454
MAR-TRE-3e4e6814-30
0.447
MAR-TRE-b77b7921-33
0.444
MAR-TRE-d0525fbf-16
0.444
MAR-TRE-4b834d9a-19
0.443
MAR-TRE-04c86cea-61
0.441
MAR-TRE-b77b7921-51
0.440
MAR-TRE-04c86cea-37
0.429
MAR-TRE-b77b7921-31
0.424
MAR-TRE-04c86cea-92
0.423
MAR-TRE-04c86cea-22
0.418
MAR-TRE-b77b7921-82
0.418
MAR-TRE-b77b7921-14
0.417
MAR-TRE-74c6519b-38
0.415
MAR-TRE-f6f5f473-32
0.413
MAR-TRE-f6f5f473-5
0.410
MAR-TRE-d0525fbf-73
0.409
MAR-TRE-04c86cea-30
0.408
MAR-TRE-f6f5f473-21
0.408
MAR-TRE-04c86cea-59
0.404
MAR-TRE-74c6519b-99
0.404
MAR-TRE-d0525fbf-34
0.402
MAR-TRE-4b834d9a-72
0.402
MAR-TRE-f6f5f473-60
0.402
MAR-TRE-74c6519b-20
0.402
MAR-TRE-04c86cea-24
0.402
MAR-TRE-b77b7921-79
0.400
MAR-TRE-f6f5f473-7
0.400
MAR-TRE-74c6519b-80
0.400
MAR-TRE-74c6519b-43
0.398
MAR-TRE-b77b7921-60
0.398
MAR-TRE-f6f5f473-38
0.398
MAR-TRE-04c86cea-67
0.396
MAR-TRE-f6f5f473-19
0.396
MAR-TRE-74c6519b-34
0.394
MAR-TRE-3e4e6814-44
0.394
MAR-TRE-74c6519b-21
0.392
MAR-TRE-4b834d9a-41
0.390
MAR-TRE-3e4e6814-46
0.388
MAR-TRE-b77b7921-42
0.388
MAR-TRE-04c86cea-42
0.388
MAR-TRE-4b834d9a-50
0.388
MAR-TRE-74c6519b-4
0.386
MAR-TRE-74c6519b-40
0.386