Molecular Properties | |
SMILES: | Cc1cccc(Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 |
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-9083217091 |
MolPort: | MolPort-003-122-184 |
Filter82_pyridinium
MAR-TRE-b77b7921-62
0.750
MAR-TRE-b77b7921-51
0.750
MAR-TRE-f6f5f473-86
0.730
MAR-TRE-74c6519b-83
0.692
MAR-TRE-d0525fbf-18
0.671
MAR-TRE-b77b7921-76
0.662
MAR-TRE-b77b7921-86
0.625
MAR-TRE-04c86cea-37
0.614
MAR-TRE-04c86cea-43
0.589
MAR-TRE-f6f5f473-38
0.580
MAR-TRE-3e4e6814-77
0.576
MAR-TRE-04c86cea-15
0.571
MAR-TRE-74c6519b-38
0.570
MAR-TRE-d0525fbf-34
0.570
MAR-TRE-f6f5f473-10
0.563
MAR-TRE-04c86cea-99
0.548
MAR-TRE-4b834d9a-80
0.529
MAR-TRE-f6f5f473-19
0.528
MAR-TRE-04c86cea-3
0.527
MAR-TRE-04c86cea-24
0.526
MAR-TRE-04c86cea-42
0.526
MAR-TRE-b77b7921-1
0.516
MAR-TRE-3e4e6814-99
0.506
MAR-TRE-b77b7921-33
0.500
MAR-TRE-b77b7921-58
0.500
MAR-TRE-3e4e6814-46
0.495
MAR-TRE-04c86cea-10
0.495
MAR-TRE-74c6519b-43
0.490
MAR-TRE-3e4e6814-15
0.490
MAR-TRE-3e4e6814-40
0.490
MAR-TRE-74c6519b-34
0.485
MAR-TRE-04c86cea-22
0.484
MAR-TRE-4b834d9a-34
0.483
MAR-TRE-d0525fbf-86
0.483
MAR-TRE-74c6519b-1
0.479
MAR-TRE-d0525fbf-62
0.479
MAR-TRE-d0525fbf-76
0.479
MAR-TRE-74c6519b-94
0.477
MAR-TRE-04c86cea-50
0.476
MAR-TRE-3e4e6814-42
0.472
MAR-TRE-04c86cea-26
0.467
MAR-TRE-74c6519b-4
0.464
MAR-TRE-f6f5f473-11
0.462
MAR-TRE-7f7bb9f0-10
0.461
MAR-TRE-d0525fbf-49
0.460
MAR-TRE-d0525fbf-16
0.451
MAR-TRE-d0525fbf-59
0.449
MAR-TRE-b77b7921-79
0.449
MAR-TRE-b77b7921-12
0.449
MAR-TRE-04c86cea-61
0.447
MAR-TRE-b77b7921-41
0.446
MAR-TRE-d0525fbf-46
0.440
MAR-TRE-3e4e6814-29
0.439
MAR-TRE-b77b7921-49
0.438
MAR-TRE-d0525fbf-67
0.435
MAR-TRE-04c86cea-98
0.434
MAR-TRE-b77b7921-24
0.426
MAR-TRE-b77b7921-21
0.426
MAR-TRE-f6f5f473-13
0.422
MAR-TRE-b77b7921-37
0.416
MAR-TRE-3e4e6814-44
0.415
MAR-TRE-b77b7921-32
0.415
MAR-TRE-b77b7921-50
0.412
MAR-TRE-f6f5f473-3
0.412
MAR-TRE-04c86cea-59
0.410
MAR-TRE-4b834d9a-44
0.410
MAR-TRE-b77b7921-14
0.408
MAR-TRE-3e4e6814-30
0.408
MAR-TRE-74c6519b-37
0.402
MAR-TRE-3e4e6814-48
0.394
MAR-TRE-9c797165-19
0.393
MAR-TRE-74c6519b-33
0.392
MAR-TRE-b77b7921-64
0.392
MAR-TRE-74c6519b-28
0.390
MAR-TRE-3e4e6814-32
0.386
MAR-TRE-f6f5f473-21
0.386
MAR-TRE-3e4e6814-51
0.385
MAR-TRE-d0525fbf-73
0.385
MAR-TRE-74c6519b-31
0.382
MAR-TRE-04c86cea-18
0.382
MAR-TRE-f6f5f473-32
0.380
MAR-TRE-74c6519b-15
0.379
MAR-TRE-4b834d9a-19
0.372
MAR-TRE-74c6519b-22
0.370
MAR-TRE-3e4e6814-11
0.369
MAR-TRE-f6f5f473-64
0.369
MAR-TRE-74c6519b-32
0.369
MAR-TRE-b77b7921-36
0.367
MAR-TRE-f6f5f473-41
0.367
MAR-TRE-4b834d9a-52
0.366
MAR-TRE-d0525fbf-27
0.365
MAR-TRE-b77b7921-60
0.364
MAR-TRE-4b834d9a-81
0.364
MAR-TRE-f6f5f473-7
0.364
MAR-TRE-f6f5f473-5
0.362
MAR-TRE-d0525fbf-56
0.362
MAR-TRE-b77b7921-45
0.362
MAR-TRE-04c86cea-67
0.362
MAR-TRE-f6f5f473-57
0.361
MAR-TRE-3e4e6814-94
0.361