Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)NCc3ccco3)c2=O)cc1 |
MW: | 404.15 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 99.13 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9119956278 |
MolPort: | MolPort-003-108-127 |
Filter82_pyridinium
MAR-TRE-d0525fbf-60
0.810
MAR-TRE-4b834d9a-50
0.805
MAR-TRE-f6f5f473-21
0.705
MAR-TRE-d0525fbf-61
0.678
MAR-TRE-3e4e6814-11
0.678
MAR-TRE-b77b7921-45
0.628
MAR-TRE-04c86cea-66
0.604
MAR-TRE-04c86cea-3
0.600
MAR-TRE-4b834d9a-52
0.591
MAR-TRE-74c6519b-21
0.588
MAR-TRE-04c86cea-2
0.579
MAR-TRE-04c86cea-92
0.579
MAR-TRE-04c86cea-67
0.577
MAR-TRE-4b834d9a-19
0.562
MAR-TRE-3e4e6814-48
0.558
MAR-TRE-d0525fbf-1
0.557
MAR-TRE-b77b7921-46
0.552
MAR-TRE-d0525fbf-29
0.551
MAR-TRE-f6f5f473-7
0.543
MAR-TRE-74c6519b-92
0.531
MAR-TRE-b77b7921-1
0.526
MAR-TRE-04c86cea-23
0.525
MAR-TRE-b77b7921-82
0.525
MAR-TRE-74c6519b-20
0.520
MAR-TRE-74c6519b-2
0.515
MAR-TRE-4b834d9a-28
0.510
MAR-TRE-d0525fbf-32
0.510
MAR-TRE-74c6519b-62
0.510
MAR-TRE-74c6519b-28
0.505
MAR-TRE-74c6519b-15
0.505
MAR-TRE-74c6519b-33
0.505
MAR-TRE-b77b7921-57
0.500
MAR-TRE-04c86cea-30
0.500
MAR-TRE-d0525fbf-25
0.500
MAR-TRE-74c6519b-37
0.500
MAR-TRE-3e4e6814-42
0.500
MAR-TRE-b77b7921-6
0.495
MAR-TRE-d0525fbf-31
0.495
MAR-TRE-3e4e6814-29
0.495
MAR-TRE-74c6519b-74
0.495
MAR-TRE-4b834d9a-81
0.495
MAR-TRE-b77b7921-28
0.490
MAR-TRE-b77b7921-42
0.490
MAR-TRE-74c6519b-1
0.490
MAR-TRE-74c6519b-4
0.490
MAR-TRE-9c797165-19
0.489
MAR-TRE-d0525fbf-20
0.486
MAR-TRE-d0525fbf-57
0.486
MAR-TRE-d0525fbf-58
0.485
MAR-TRE-d0525fbf-17
0.485
MAR-TRE-3e4e6814-32
0.485
MAR-TRE-f6f5f473-86
0.484
MAR-TRE-7f7bb9f0-17
0.484
MAR-TRE-7f7bb9f0-85
0.484
MAR-TRE-d0525fbf-15
0.481
MAR-TRE-4b834d9a-72
0.480
MAR-TRE-b77b7921-25
0.476
MAR-TRE-d0525fbf-27
0.476
MAR-TRE-d0525fbf-56
0.471
MAR-TRE-7f7bb9f0-52
0.470
MAR-TRE-d0525fbf-42
0.467
MAR-TRE-74c6519b-32
0.466
MAR-TRE-74c6519b-31
0.466
MAR-TRE-4b834d9a-41
0.466
MAR-TRE-7f7bb9f0-77
0.465
MAR-TRE-74c6519b-87
0.463
MAR-TRE-f6f5f473-18
0.462
MAR-TRE-d0525fbf-47
0.461
MAR-TRE-b77b7921-60
0.458
MAR-TRE-3e4e6814-33
0.455
MAR-TRE-b77b7921-36
0.455
MAR-TRE-d0525fbf-40
0.453
MAR-TRE-d0525fbf-48
0.452
MAR-TRE-7f7bb9f0-24
0.452
MAR-TRE-3e4e6814-83
0.449
MAR-TRE-d0525fbf-13
0.449
MAR-TRE-d0525fbf-73
0.447
MAR-TRE-7f7bb9f0-40
0.443
MAR-TRE-9c797165-23
0.441
MAR-TRE-f6f5f473-57
0.440
MAR-TRE-04c86cea-59
0.438
MAR-TRE-f6f5f473-64
0.438
MAR-TRE-b77b7921-13
0.437
MAR-TRE-74c6519b-99
0.436
MAR-TRE-04c86cea-24
0.435
MAR-TRE-f6f5f473-66
0.434
MAR-TRE-74c6519b-80
0.432
MAR-TRE-04c86cea-8
0.429
MAR-TRE-d0525fbf-19
0.427
MAR-TRE-04c86cea-99
0.426
MAR-TRE-f6f5f473-3
0.426
MAR-TRE-74c6519b-59
0.423
MAR-TRE-3e4e6814-30
0.423
MAR-TRE-b77b7921-58
0.422
MAR-TRE-f6f5f473-48
0.421
MAR-TRE-d0525fbf-59
0.418
MAR-TRE-04c86cea-43
0.417
MAR-TRE-f6f5f473-5
0.417
MAR-TRE-3e4e6814-40
0.417
MAR-TRE-04c86cea-22
0.411