Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CC3)c3cccnc32)cc1 |
MW: | 364.15 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 1.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1366652874 |
MolPort: | MolPort-010-670-041 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-f6f5f473-54
0.867
MAR-TRE-f6f5f473-66
0.684
MAR-TRE-f6f5f473-89
0.679
MAR-TRE-04c86cea-73
0.628
MAR-TRE-f6f5f473-40
0.628
MAR-TRE-04c86cea-74
0.600
MAR-TRE-04c86cea-12
0.593
MAR-TRE-f6f5f473-92
0.574
MAR-TRE-3e4e6814-35
0.565
MAR-TRE-4b834d9a-51
0.553
MAR-TRE-67513f76-94
0.523
MAR-TRE-74c6519b-73
0.512
MAR-TRE-74c6519b-3
0.484
MAR-TRE-4b834d9a-93
0.474
MAR-TRE-74c6519b-71
0.473
MAR-TRE-b77b7921-93
0.462
MAR-TRE-3e4e6814-70
0.455
MAR-TRE-3e4e6814-71
0.454
MAR-TRE-04c86cea-55
0.449
MAR-TRE-f6f5f473-70
0.448
MAR-TRE-b77b7921-69
0.438
MAR-TRE-3e4e6814-75
0.435
MAR-TRE-74c6519b-36
0.424
MAR-TRE-74c6519b-59
0.418
MAR-TRE-f6f5f473-34
0.417
MAR-TRE-f6f5f473-93
0.416
MAR-TRE-7f7bb9f0-39
0.416
MAR-TRE-f6f5f473-88
0.414
MAR-TRE-9c797165-36
0.414
MAR-TRE-f6f5f473-61
0.412
MAR-TRE-74c6519b-25
0.411
MAR-TRE-74c6519b-61
0.410
MAR-TRE-f6f5f473-43
0.408
MAR-TRE-3e4e6814-5
0.407
MAR-TRE-3e4e6814-60
0.406
MAR-TRE-74c6519b-30
0.404
MAR-TRE-3e4e6814-21
0.400
MAR-TRE-74c6519b-6
0.398
MAR-TRE-74c6519b-39
0.398
MAR-TRE-74c6519b-5
0.396
MAR-TRE-67513f76-27
0.394
MAR-TRE-4b834d9a-95
0.394
MAR-TRE-4b834d9a-25
0.392
MAR-TRE-f6f5f473-17
0.390
MAR-TRE-74c6519b-78
0.389
MAR-TRE-f6f5f473-55
0.388
MAR-TRE-7f7bb9f0-85
0.387
MAR-TRE-3e4e6814-3
0.387
MAR-TRE-04c86cea-80
0.384
MAR-TRE-f6f5f473-42
0.383
MAR-TRE-4b834d9a-40
0.379
MAR-TRE-3e4e6814-25
0.379
MAR-TRE-b77b7921-13
0.376
MAR-TRE-f6f5f473-22
0.375
MAR-TRE-3e4e6814-90
0.374
MAR-TRE-04c86cea-77
0.373
MAR-TRE-4b834d9a-33
0.371
MAR-TRE-04c86cea-8
0.369
MAR-TRE-74c6519b-21
0.368
MAR-TRE-b77b7921-48
0.368
MAR-TRE-d0525fbf-43
0.367
MAR-TRE-3e4e6814-86
0.366
MAR-TRE-74c6519b-92
0.366
MAR-TRE-f6f5f473-68
0.363
MAR-TRE-74c6519b-40
0.362
MAR-TRE-4b834d9a-84
0.361
MAR-TRE-b77b7921-20
0.358
MAR-TRE-b77b7921-54
0.358
MAR-TRE-b77b7921-11
0.357
MAR-TRE-f6f5f473-12
0.356
MAR-TRE-b77b7921-5
0.355
MAR-TRE-3e4e6814-4
0.355
MAR-TRE-9c797165-40
0.354
MAR-TRE-04c86cea-70
0.352
MAR-TRE-04c86cea-57
0.352
MAR-TRE-04c86cea-33
0.352
MAR-TRE-4b834d9a-39
0.351
MAR-TRE-4b834d9a-55
0.351
MAR-TRE-9c797165-18
0.349
MAR-TRE-d0525fbf-66
0.349
MAR-TRE-3e4e6814-26
0.349
MAR-TRE-f6f5f473-44
0.349
MAR-TRE-3e4e6814-10
0.347
MAR-TRE-d0525fbf-88
0.346
MAR-TRE-4b834d9a-5
0.346
MAR-TRE-04c86cea-10
0.346
MAR-TRE-f6f5f473-72
0.346
MAR-TRE-f6f5f473-59
0.346
MAR-TRE-3e4e6814-94
0.345
MAR-TRE-7f7bb9f0-87
0.345
MAR-TRE-b77b7921-16
0.343
MAR-TRE-f6f5f473-16
0.343
MAR-TRE-f6f5f473-21
0.343
MAR-TRE-3e4e6814-51
0.343
MAR-TRE-b77b7921-7
0.343
MAR-TRE-3e4e6814-69
0.340
MAR-TRE-67513f76-2
0.340
MAR-TRE-4b834d9a-2
0.340
MAR-TRE-67513f76-91
0.340
MAR-TRE-d0525fbf-39
0.340