Molecular Properties | |
SMILES: | CC(=O)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1 |
MW: | 428.15 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 103.06 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6314099011 |
MolPort: | MolPort-003-108-010 |
Filter82_pyridinium
Ketone
MAR-TRE-4b834d9a-72
0.780
MAR-TRE-4b834d9a-81
0.682
MAR-TRE-b77b7921-60
0.674
MAR-TRE-3e4e6814-48
0.659
MAR-TRE-74c6519b-74
0.659
MAR-TRE-b77b7921-82
0.656
MAR-TRE-7f7bb9f0-52
0.648
MAR-TRE-7f7bb9f0-77
0.640
MAR-TRE-f6f5f473-7
0.625
MAR-TRE-b77b7921-57
0.624
MAR-TRE-04c86cea-67
0.624
MAR-TRE-d0525fbf-25
0.624
MAR-TRE-4b834d9a-41
0.620
MAR-TRE-d0525fbf-31
0.617
MAR-TRE-4b834d9a-50
0.604
MAR-TRE-f6f5f473-18
0.594
MAR-TRE-f6f5f473-21
0.591
MAR-TRE-b77b7921-58
0.589
MAR-TRE-74c6519b-31
0.585
MAR-TRE-4b834d9a-28
0.583
MAR-TRE-d0525fbf-62
0.581
MAR-TRE-74c6519b-28
0.581
MAR-TRE-3e4e6814-98
0.579
MAR-TRE-04c86cea-2
0.574
MAR-TRE-04c86cea-92
0.574
MAR-TRE-d0525fbf-56
0.573
MAR-TRE-4b834d9a-52
0.570
MAR-TRE-3e4e6814-29
0.568
MAR-TRE-d0525fbf-76
0.564
MAR-TRE-3e4e6814-32
0.558
MAR-TRE-d0525fbf-58
0.558
MAR-TRE-7f7bb9f0-40
0.557
MAR-TRE-d0525fbf-20
0.556
MAR-TRE-d0525fbf-48
0.552
MAR-TRE-74c6519b-87
0.545
MAR-TRE-74c6519b-99
0.545
MAR-TRE-74c6519b-37
0.541
MAR-TRE-4b834d9a-19
0.539
MAR-TRE-74c6519b-32
0.536
MAR-TRE-74c6519b-62
0.535
MAR-TRE-d0525fbf-47
0.531
MAR-TRE-04c86cea-42
0.530
MAR-TRE-3e4e6814-83
0.530
MAR-TRE-3e4e6814-99
0.529
MAR-TRE-d0525fbf-42
0.520
MAR-TRE-b77b7921-46
0.515
MAR-TRE-d0525fbf-27
0.515
MAR-TRE-74c6519b-15
0.515
MAR-TRE-74c6519b-33
0.515
MAR-TRE-b77b7921-25
0.515
MAR-TRE-3e4e6814-91
0.515
MAR-TRE-b77b7921-42
0.515
MAR-TRE-b77b7921-65
0.515
MAR-TRE-d0525fbf-17
0.510
MAR-TRE-74c6519b-43
0.510
MAR-TRE-3e4e6814-30
0.505
MAR-TRE-7f7bb9f0-24
0.505
MAR-TRE-74c6519b-21
0.505
MAR-TRE-9c797165-19
0.500
MAR-TRE-74c6519b-40
0.500
MAR-TRE-74c6519b-80
0.495
MAR-TRE-d0525fbf-49
0.495
MAR-TRE-3e4e6814-40
0.495
MAR-TRE-04c86cea-43
0.495
MAR-TRE-b77b7921-36
0.495
MAR-TRE-d0525fbf-15
0.490
MAR-TRE-3e4e6814-11
0.490
MAR-TRE-04c86cea-23
0.490
MAR-TRE-f6f5f473-64
0.490
MAR-TRE-b77b7921-1
0.490
MAR-TRE-4b834d9a-34
0.489
MAR-TRE-d0525fbf-29
0.485
MAR-TRE-d0525fbf-60
0.485
MAR-TRE-74c6519b-65
0.484
MAR-TRE-04c86cea-50
0.483
MAR-TRE-3e4e6814-15
0.480
MAR-TRE-f6f5f473-5
0.480
MAR-TRE-f6f5f473-3
0.476
MAR-TRE-04c86cea-99
0.476
MAR-TRE-d0525fbf-1
0.475
MAR-TRE-04c86cea-22
0.475
MAR-TRE-b77b7921-13
0.475
MAR-TRE-f6f5f473-60
0.471
MAR-TRE-f6f5f473-48
0.468
MAR-TRE-04c86cea-8
0.465
MAR-TRE-d0525fbf-32
0.462
MAR-TRE-74c6519b-34
0.462
MAR-TRE-74c6519b-84
0.462
MAR-TRE-3e4e6814-46
0.457
MAR-TRE-74c6519b-20
0.457
MAR-TRE-04c86cea-24
0.457
MAR-TRE-d0525fbf-73
0.457
MAR-TRE-b77b7921-45
0.452
MAR-TRE-f6f5f473-57
0.449
MAR-TRE-d0525fbf-40
0.448
MAR-TRE-04c86cea-59
0.447
MAR-TRE-d0525fbf-13
0.443
MAR-TRE-f6f5f473-19
0.440
MAR-TRE-04c86cea-61
0.440
MAR-TRE-d0525fbf-57
0.439