Molecular Properties | |
SMILES: | COC(=O)c1ccc(Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)o1 |
MW: | 391.12 |
Fraction sp3: | 0.14 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 96.33 |
cLogP: | 2.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5191772695 |
MolPort: | MolPort-003-108-022 |
Filter82_pyridinium
Ester
MAR-TRE-74c6519b-89
0.750
MAR-TRE-4b834d9a-34
0.588
MAR-TRE-3e4e6814-99
0.580
MAR-TRE-04c86cea-50
0.566
MAR-TRE-04c86cea-61
0.511
MAR-TRE-04c86cea-30
0.505
MAR-TRE-f6f5f473-21
0.505
MAR-TRE-b77b7921-60
0.505
MAR-TRE-4b834d9a-72
0.500
MAR-TRE-4b834d9a-50
0.500
MAR-TRE-f6f5f473-7
0.500
MAR-TRE-04c86cea-2
0.490
MAR-TRE-4b834d9a-28
0.485
MAR-TRE-d0525fbf-59
0.484
MAR-TRE-04c86cea-92
0.475
MAR-TRE-d0525fbf-46
0.473
MAR-TRE-3e4e6814-42
0.473
MAR-TRE-b77b7921-82
0.470
MAR-TRE-4b834d9a-41
0.470
MAR-TRE-d0525fbf-67
0.468
MAR-TRE-7f7bb9f0-10
0.462
MAR-TRE-b77b7921-49
0.457
MAR-TRE-4b834d9a-52
0.455
MAR-TRE-d0525fbf-16
0.453
MAR-TRE-f6f5f473-18
0.452
MAR-TRE-4b834d9a-19
0.452
MAR-TRE-f6f5f473-48
0.450
MAR-TRE-74c6519b-94
0.447
MAR-TRE-f6f5f473-86
0.441
MAR-TRE-74c6519b-74
0.440
MAR-TRE-4b834d9a-81
0.439
MAR-TRE-04c86cea-26
0.438
MAR-TRE-d0525fbf-86
0.436
MAR-TRE-b77b7921-46
0.436
MAR-TRE-3e4e6814-44
0.433
MAR-TRE-b77b7921-32
0.433
MAR-TRE-d0525fbf-25
0.433
MAR-TRE-04c86cea-67
0.433
MAR-TRE-b77b7921-57
0.433
MAR-TRE-4b834d9a-80
0.432
MAR-TRE-d0525fbf-31
0.429
MAR-TRE-9c797165-19
0.429
MAR-TRE-b77b7921-36
0.429
MAR-TRE-b77b7921-76
0.426
MAR-TRE-b77b7921-42
0.425
MAR-TRE-b77b7921-25
0.423
MAR-TRE-74c6519b-40
0.423
MAR-TRE-b77b7921-33
0.423
MAR-TRE-d0525fbf-18
0.423
MAR-TRE-f6f5f473-11
0.420
MAR-TRE-d0525fbf-73
0.419
MAR-TRE-b77b7921-41
0.418
MAR-TRE-74c6519b-31
0.413
MAR-TRE-04c86cea-23
0.413
MAR-TRE-74c6519b-87
0.413
MAR-TRE-3e4e6814-48
0.412
MAR-TRE-d0525fbf-60
0.410
MAR-TRE-04c86cea-37
0.410
MAR-TRE-74c6519b-83
0.408
MAR-TRE-f6f5f473-49
0.408
MAR-TRE-d0525fbf-20
0.407
MAR-TRE-74c6519b-65
0.404
MAR-TRE-b77b7921-51
0.404
MAR-TRE-b77b7921-62
0.404
MAR-TRE-3e4e6814-32
0.404
MAR-TRE-d0525fbf-15
0.404
MAR-TRE-74c6519b-62
0.404
MAR-TRE-7f7bb9f0-52
0.402
MAR-TRE-b77b7921-50
0.402
MAR-TRE-74c6519b-32
0.400
MAR-TRE-3e4e6814-11
0.400
MAR-TRE-b77b7921-1
0.398
MAR-TRE-b77b7921-14
0.398
MAR-TRE-7f7bb9f0-77
0.398
MAR-TRE-b77b7921-64
0.396
MAR-TRE-d0525fbf-27
0.396
MAR-TRE-04c86cea-98
0.396
MAR-TRE-3e4e6814-98
0.396
MAR-TRE-b77b7921-12
0.396
MAR-TRE-b77b7921-79
0.396
MAR-TRE-d0525fbf-47
0.394
MAR-TRE-74c6519b-28
0.394
MAR-TRE-b77b7921-45
0.393
MAR-TRE-f6f5f473-19
0.392
MAR-TRE-d0525fbf-32
0.391
MAR-TRE-d0525fbf-17
0.390
MAR-TRE-d0525fbf-40
0.389
MAR-TRE-d0525fbf-42
0.389
MAR-TRE-74c6519b-21
0.389
MAR-TRE-b77b7921-56
0.389
MAR-TRE-d0525fbf-1
0.387
MAR-TRE-3e4e6814-29
0.387
MAR-TRE-04c86cea-59
0.387
MAR-TRE-f6f5f473-13
0.385
MAR-TRE-74c6519b-20
0.385
MAR-TRE-b77b7921-13
0.385
MAR-TRE-74c6519b-80
0.384
MAR-TRE-d0525fbf-29
0.383
MAR-TRE-74c6519b-33
0.383
MAR-TRE-74c6519b-15
0.383