Molecular Properties | |
SMILES: | CCc1ccc(C(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 |
MW: | 400.15 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 86.85 |
cLogP: | 2.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6094148380 |
MolPort: | MolPort-003-122-305 |
Filter82_pyridinium
Ketone
MAR-TRE-f6f5f473-19
0.725
MAR-TRE-74c6519b-74
0.687
MAR-TRE-9c797165-19
0.680
MAR-TRE-74c6519b-31
0.607
MAR-TRE-74c6519b-28
0.602
MAR-TRE-4b834d9a-81
0.593
MAR-TRE-3e4e6814-48
0.591
MAR-TRE-3e4e6814-11
0.589
MAR-TRE-74c6519b-32
0.589
MAR-TRE-d0525fbf-27
0.582
MAR-TRE-7f7bb9f0-52
0.580
MAR-TRE-3e4e6814-32
0.578
MAR-TRE-4b834d9a-52
0.573
MAR-TRE-7f7bb9f0-77
0.573
MAR-TRE-d0525fbf-48
0.571
MAR-TRE-3e4e6814-29
0.571
MAR-TRE-7f7bb9f0-24
0.571
MAR-TRE-d0525fbf-1
0.571
MAR-TRE-3e4e6814-99
0.570
MAR-TRE-d0525fbf-47
0.567
MAR-TRE-74c6519b-15
0.565
MAR-TRE-74c6519b-33
0.565
MAR-TRE-d0525fbf-58
0.560
MAR-TRE-74c6519b-37
0.559
MAR-TRE-d0525fbf-56
0.559
MAR-TRE-d0525fbf-42
0.553
MAR-TRE-d0525fbf-29
0.548
MAR-TRE-7f7bb9f0-40
0.543
MAR-TRE-d0525fbf-86
0.541
MAR-TRE-4b834d9a-19
0.541
MAR-TRE-74c6519b-94
0.535
MAR-TRE-7f7bb9f0-10
0.535
MAR-TRE-04c86cea-29
0.533
MAR-TRE-b77b7921-56
0.521
MAR-TRE-4b834d9a-80
0.517
MAR-TRE-04c86cea-30
0.495
MAR-TRE-b77b7921-50
0.495
MAR-TRE-b77b7921-82
0.490
MAR-TRE-d0525fbf-73
0.488
MAR-TRE-d0525fbf-20
0.480
MAR-TRE-04c86cea-67
0.480
MAR-TRE-b77b7921-57
0.480
MAR-TRE-d0525fbf-25
0.480
MAR-TRE-d0525fbf-17
0.479
MAR-TRE-74c6519b-62
0.475
MAR-TRE-d0525fbf-15
0.475
MAR-TRE-d0525fbf-31
0.475
MAR-TRE-74c6519b-21
0.475
MAR-TRE-04c86cea-59
0.474
MAR-TRE-b77b7921-42
0.470
MAR-TRE-f6f5f473-21
0.464
MAR-TRE-4b834d9a-41
0.459
MAR-TRE-4b834d9a-72
0.458
MAR-TRE-f6f5f473-7
0.457
MAR-TRE-74c6519b-87
0.456
MAR-TRE-04c86cea-42
0.455
MAR-TRE-74c6519b-40
0.455
MAR-TRE-b77b7921-60
0.451
MAR-TRE-04c86cea-2
0.449
MAR-TRE-d0525fbf-34
0.448
MAR-TRE-d0525fbf-19
0.448
MAR-TRE-4b834d9a-50
0.443
MAR-TRE-74c6519b-99
0.442
MAR-TRE-3e4e6814-91
0.441
MAR-TRE-3e4e6814-83
0.441
MAR-TRE-d0525fbf-60
0.440
MAR-TRE-d0525fbf-59
0.440
MAR-TRE-f6f5f473-38
0.439
MAR-TRE-74c6519b-80
0.438
MAR-TRE-b77b7921-45
0.436
MAR-TRE-04c86cea-92
0.434
MAR-TRE-d0525fbf-32
0.433
MAR-TRE-4b834d9a-28
0.431
MAR-TRE-d0525fbf-40
0.431
MAR-TRE-04c86cea-22
0.430
MAR-TRE-3e4e6814-30
0.429
MAR-TRE-b77b7921-13
0.429
MAR-TRE-f6f5f473-18
0.427
MAR-TRE-3e4e6814-46
0.427
MAR-TRE-d0525fbf-13
0.427
MAR-TRE-f6f5f473-48
0.426
MAR-TRE-b77b7921-46
0.424
MAR-TRE-d0525fbf-57
0.423
MAR-TRE-74c6519b-2
0.422
MAR-TRE-04c86cea-8
0.420
MAR-TRE-f6f5f473-64
0.416
MAR-TRE-04c86cea-50
0.416
MAR-TRE-3e4e6814-42
0.415
MAR-TRE-d0525fbf-46
0.415
MAR-TRE-74c6519b-20
0.413
MAR-TRE-f6f5f473-60
0.413
MAR-TRE-04c86cea-24
0.413
MAR-TRE-b77b7921-49
0.413
MAR-TRE-f6f5f473-86
0.413
MAR-TRE-b77b7921-58
0.412
MAR-TRE-b77b7921-25
0.412
MAR-TRE-04c86cea-3
0.412
MAR-TRE-d0525fbf-67
0.411
MAR-TRE-d0525fbf-62
0.410
MAR-TRE-74c6519b-43
0.410