Molecular Properties | |
SMILES: | Cc1ccc(C(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c(C)c1 |
MW: | 400.15 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 86.85 |
cLogP: | 2.5 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7351979777 |
MolPort: | MolPort-003-122-120 |
Filter82_pyridinium
Ketone
MAR-TRE-04c86cea-59
0.682
MAR-TRE-04c86cea-99
0.678
MAR-TRE-04c86cea-24
0.652
MAR-TRE-d0525fbf-34
0.637
MAR-TRE-f6f5f473-19
0.625
MAR-TRE-04c86cea-43
0.613
MAR-TRE-04c86cea-3
0.602
MAR-TRE-f6f5f473-49
0.580
MAR-TRE-b77b7921-58
0.578
MAR-TRE-74c6519b-43
0.577
MAR-TRE-74c6519b-34
0.571
MAR-TRE-f6f5f473-86
0.570
MAR-TRE-b77b7921-1
0.559
MAR-TRE-04c86cea-22
0.558
MAR-TRE-d0525fbf-62
0.553
MAR-TRE-d0525fbf-76
0.553
MAR-TRE-04c86cea-10
0.553
MAR-TRE-04c86cea-42
0.551
MAR-TRE-3e4e6814-46
0.551
MAR-TRE-3e4e6814-15
0.546
MAR-TRE-3e4e6814-40
0.546
MAR-TRE-74c6519b-4
0.536
MAR-TRE-74c6519b-1
0.536
MAR-TRE-d0525fbf-49
0.530
MAR-TRE-d0525fbf-18
0.511
MAR-TRE-b77b7921-51
0.505
MAR-TRE-b77b7921-76
0.500
MAR-TRE-74c6519b-83
0.495
MAR-TRE-b77b7921-62
0.489
MAR-TRE-b77b7921-86
0.489
MAR-TRE-74c6519b-37
0.485
MAR-TRE-3e4e6814-77
0.484
MAR-TRE-74c6519b-38
0.479
MAR-TRE-74c6519b-33
0.475
MAR-TRE-f6f5f473-10
0.459
MAR-TRE-f6f5f473-57
0.453
MAR-TRE-3e4e6814-48
0.450
MAR-TRE-74c6519b-28
0.446
MAR-TRE-3e4e6814-32
0.441
MAR-TRE-b77b7921-36
0.439
MAR-TRE-3e4e6814-29
0.437
MAR-TRE-f6f5f473-64
0.437
MAR-TRE-f6f5f473-5
0.429
MAR-TRE-f6f5f473-21
0.427
MAR-TRE-f6f5f473-3
0.425
MAR-TRE-9c797165-19
0.424
MAR-TRE-3e4e6814-11
0.423
MAR-TRE-74c6519b-15
0.419
MAR-TRE-4b834d9a-19
0.417
MAR-TRE-04c86cea-29
0.416
MAR-TRE-04c86cea-67
0.415
MAR-TRE-d0525fbf-56
0.415
MAR-TRE-04c86cea-30
0.413
MAR-TRE-74c6519b-21
0.411
MAR-TRE-04c86cea-66
0.411
MAR-TRE-d0525fbf-42
0.411
MAR-TRE-74c6519b-32
0.410
MAR-TRE-4b834d9a-81
0.406
MAR-TRE-74c6519b-40
0.406
MAR-TRE-b77b7921-45
0.402
MAR-TRE-d0525fbf-73
0.400
MAR-TRE-74c6519b-94
0.398
MAR-TRE-74c6519b-31
0.396
MAR-TRE-f6f5f473-60
0.394
MAR-TRE-74c6519b-74
0.394
MAR-TRE-4b834d9a-52
0.394
MAR-TRE-d0525fbf-27
0.393
MAR-TRE-f6f5f473-7
0.392
MAR-TRE-d0525fbf-47
0.390
MAR-TRE-d0525fbf-58
0.387
MAR-TRE-b77b7921-56
0.385
MAR-TRE-7f7bb9f0-52
0.385
MAR-TRE-74c6519b-99
0.384
MAR-TRE-b77b7921-82
0.383
MAR-TRE-4b834d9a-41
0.383
MAR-TRE-04c86cea-23
0.383
MAR-TRE-7f7bb9f0-24
0.383
MAR-TRE-d0525fbf-48
0.383
MAR-TRE-7f7bb9f0-77
0.381
MAR-TRE-4b834d9a-50
0.381
MAR-TRE-4b834d9a-72
0.381
MAR-TRE-74c6519b-80
0.381
MAR-TRE-d0525fbf-29
0.380
MAR-TRE-d0525fbf-57
0.378
MAR-TRE-b77b7921-60
0.378
MAR-TRE-b77b7921-46
0.377
MAR-TRE-04c86cea-26
0.376
MAR-TRE-7f7bb9f0-40
0.376
MAR-TRE-f6f5f473-11
0.375
MAR-TRE-04c86cea-92
0.374
MAR-TRE-d0525fbf-17
0.374
MAR-TRE-04c86cea-2
0.374
MAR-TRE-74c6519b-84
0.373
MAR-TRE-d0525fbf-40
0.373
MAR-TRE-4b834d9a-28
0.373
MAR-TRE-d0525fbf-19
0.371
MAR-TRE-f6f5f473-15
0.370
MAR-TRE-d0525fbf-61
0.370
MAR-TRE-d0525fbf-1
0.370
MAR-TRE-d0525fbf-13
0.369