Molecular Properties | |
SMILES: | Cc1ccc(C(=O)Cn2c(=O)n(Cc3cccnc3)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-8645199536 |
MolPort: | MolPort-003-122-216 |
Filter82_pyridinium
Ketone
MAR-TRE-f6f5f473-38
0.682
MAR-TRE-d0525fbf-73
0.646
MAR-TRE-b77b7921-45
0.617
MAR-TRE-f6f5f473-11
0.593
MAR-TRE-74c6519b-99
0.586
MAR-TRE-b77b7921-13
0.581
MAR-TRE-74c6519b-80
0.580
MAR-TRE-b77b7921-46
0.574
MAR-TRE-04c86cea-8
0.568
MAR-TRE-04c86cea-26
0.567
MAR-TRE-b77b7921-25
0.557
MAR-TRE-3e4e6814-83
0.556
MAR-TRE-3e4e6814-91
0.556
MAR-TRE-74c6519b-2
0.551
MAR-TRE-04c86cea-50
0.547
MAR-TRE-74c6519b-20
0.540
MAR-TRE-d0525fbf-16
0.533
MAR-TRE-b77b7921-49
0.522
MAR-TRE-74c6519b-37
0.520
MAR-TRE-b77b7921-33
0.516
MAR-TRE-74c6519b-33
0.510
MAR-TRE-b77b7921-32
0.495
MAR-TRE-b77b7921-41
0.495
MAR-TRE-74c6519b-28
0.480
MAR-TRE-b77b7921-36
0.474
MAR-TRE-3e4e6814-29
0.471
MAR-TRE-3e4e6814-48
0.470
MAR-TRE-9c797165-19
0.462
MAR-TRE-3e4e6814-32
0.461
MAR-TRE-f6f5f473-21
0.461
MAR-TRE-04c86cea-99
0.457
MAR-TRE-3e4e6814-11
0.456
MAR-TRE-4b834d9a-19
0.453
MAR-TRE-74c6519b-15
0.452
MAR-TRE-d0525fbf-56
0.448
MAR-TRE-04c86cea-30
0.447
MAR-TRE-f6f5f473-57
0.444
MAR-TRE-74c6519b-21
0.443
MAR-TRE-d0525fbf-42
0.443
MAR-TRE-74c6519b-31
0.442
MAR-TRE-04c86cea-24
0.439
MAR-TRE-74c6519b-40
0.438
MAR-TRE-f6f5f473-19
0.436
MAR-TRE-04c86cea-67
0.434
MAR-TRE-f6f5f473-64
0.429
MAR-TRE-4b834d9a-52
0.427
MAR-TRE-74c6519b-74
0.427
MAR-TRE-4b834d9a-81
0.426
MAR-TRE-f6f5f473-7
0.426
MAR-TRE-d0525fbf-27
0.425
MAR-TRE-b77b7921-60
0.422
MAR-TRE-d0525fbf-58
0.419
MAR-TRE-7f7bb9f0-52
0.417
MAR-TRE-f6f5f473-3
0.417
MAR-TRE-04c86cea-66
0.417
MAR-TRE-7f7bb9f0-24
0.415
MAR-TRE-74c6519b-32
0.415
MAR-TRE-d0525fbf-48
0.415
MAR-TRE-4b834d9a-41
0.415
MAR-TRE-7f7bb9f0-77
0.413
MAR-TRE-4b834d9a-50
0.413
MAR-TRE-4b834d9a-72
0.413
MAR-TRE-04c86cea-3
0.411
MAR-TRE-f6f5f473-49
0.410
MAR-TRE-d0525fbf-47
0.410
MAR-TRE-d0525fbf-57
0.409
MAR-TRE-04c86cea-29
0.408
MAR-TRE-7f7bb9f0-40
0.407
MAR-TRE-04c86cea-43
0.407
MAR-TRE-f6f5f473-5
0.407
MAR-TRE-d0525fbf-17
0.406
MAR-TRE-04c86cea-92
0.406
MAR-TRE-04c86cea-2
0.406
MAR-TRE-74c6519b-94
0.404
MAR-TRE-d0525fbf-19
0.404
MAR-TRE-d0525fbf-40
0.404
MAR-TRE-4b834d9a-28
0.404
MAR-TRE-b77b7921-56
0.404
MAR-TRE-b77b7921-82
0.402
MAR-TRE-d0525fbf-1
0.402
MAR-TRE-74c6519b-87
0.402
MAR-TRE-d0525fbf-34
0.400
MAR-TRE-3e4e6814-42
0.400
MAR-TRE-04c86cea-42
0.400
MAR-TRE-d0525fbf-13
0.400
MAR-TRE-d0525fbf-29
0.398
MAR-TRE-d0525fbf-20
0.396
MAR-TRE-b77b7921-57
0.394
MAR-TRE-d0525fbf-25
0.394
MAR-TRE-3e4e6814-99
0.394
MAR-TRE-d0525fbf-15
0.393
MAR-TRE-74c6519b-62
0.393
MAR-TRE-d0525fbf-31
0.391
MAR-TRE-04c86cea-23
0.389
MAR-TRE-f6f5f473-48
0.388
MAR-TRE-b77b7921-42
0.387
MAR-TRE-f6f5f473-18
0.387
MAR-TRE-3e4e6814-30
0.387
MAR-TRE-b77b7921-1
0.387
MAR-TRE-d0525fbf-60
0.385