Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)NC3CCCCCCC3)c3cccnc32)cc1 |
MW: | 434.23 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5506746747 |
MolPort: | MolPort-010-745-523 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-74c6519b-75
0.867
MAR-TRE-f6f5f473-89
0.753
MAR-TRE-f6f5f473-66
0.635
MAR-TRE-04c86cea-73
0.587
MAR-TRE-f6f5f473-40
0.587
MAR-TRE-04c86cea-74
0.562
MAR-TRE-04c86cea-12
0.557
MAR-TRE-f6f5f473-92
0.540
MAR-TRE-3e4e6814-35
0.531
MAR-TRE-b77b7921-93
0.527
MAR-TRE-4b834d9a-51
0.520
MAR-TRE-74c6519b-3
0.516
MAR-TRE-f6f5f473-70
0.510
MAR-TRE-74c6519b-71
0.505
MAR-TRE-74c6519b-73
0.478
MAR-TRE-3e4e6814-75
0.468
MAR-TRE-74c6519b-61
0.467
MAR-TRE-67513f76-94
0.457
MAR-TRE-4b834d9a-93
0.447
MAR-TRE-3e4e6814-70
0.442
MAR-TRE-f6f5f473-88
0.431
MAR-TRE-04c86cea-8
0.427
MAR-TRE-3e4e6814-71
0.427
MAR-TRE-04c86cea-55
0.423
MAR-TRE-b77b7921-69
0.412
MAR-TRE-f6f5f473-43
0.412
MAR-TRE-b77b7921-13
0.408
MAR-TRE-04c86cea-10
0.404
MAR-TRE-74c6519b-36
0.400
MAR-TRE-f6f5f473-15
0.396
MAR-TRE-3e4e6814-60
0.396
MAR-TRE-74c6519b-59
0.394
MAR-TRE-f6f5f473-93
0.393
MAR-TRE-f6f5f473-34
0.392
MAR-TRE-7f7bb9f0-39
0.389
MAR-TRE-f6f5f473-61
0.389
MAR-TRE-9c797165-36
0.387
MAR-TRE-74c6519b-25
0.386
MAR-TRE-67513f76-27
0.384
MAR-TRE-3e4e6814-25
0.383
MAR-TRE-3e4e6814-5
0.381
MAR-TRE-74c6519b-30
0.381
MAR-TRE-74c6519b-78
0.380
MAR-TRE-3e4e6814-21
0.377
MAR-TRE-74c6519b-6
0.375
MAR-TRE-f6f5f473-42
0.375
MAR-TRE-74c6519b-39
0.375
MAR-TRE-74c6519b-5
0.374
MAR-TRE-4b834d9a-95
0.370
MAR-TRE-f6f5f473-17
0.368
MAR-TRE-f6f5f473-55
0.365
MAR-TRE-04c86cea-77
0.364
MAR-TRE-3e4e6814-3
0.364
MAR-TRE-f6f5f473-72
0.364
MAR-TRE-7f7bb9f0-85
0.364
MAR-TRE-04c86cea-80
0.362
MAR-TRE-b77b7921-16
0.362
MAR-TRE-f6f5f473-16
0.361
MAR-TRE-3e4e6814-86
0.358
MAR-TRE-4b834d9a-40
0.356
MAR-TRE-f6f5f473-53
0.356
MAR-TRE-4b834d9a-25
0.356
MAR-TRE-f6f5f473-68
0.355
MAR-TRE-3159af1a-49
0.353
MAR-TRE-3e4e6814-90
0.352
MAR-TRE-7f7bb9f0-87
0.352
MAR-TRE-f6f5f473-62
0.351
MAR-TRE-4b834d9a-33
0.350
MAR-TRE-b77b7921-59
0.349
MAR-TRE-b77b7921-22
0.349
MAR-TRE-74c6519b-21
0.348
MAR-TRE-b77b7921-48
0.348
MAR-TRE-d0525fbf-43
0.346
MAR-TRE-74c6519b-92
0.346
MAR-TRE-f6f5f473-82
0.346
MAR-TRE-f6f5f473-50
0.345
MAR-TRE-04c86cea-36
0.343
MAR-TRE-74c6519b-40
0.342
MAR-TRE-f6f5f473-22
0.342
MAR-TRE-d0525fbf-66
0.342
MAR-TRE-3e4e6814-26
0.342
MAR-TRE-9c797165-18
0.341
MAR-TRE-4b834d9a-84
0.340
MAR-TRE-f6f5f473-96
0.339
MAR-TRE-b77b7921-20
0.339
MAR-TRE-3e4e6814-94
0.339
MAR-TRE-b77b7921-54
0.337
MAR-TRE-b77b7921-11
0.337
MAR-TRE-04c86cea-56
0.336
MAR-TRE-f6f5f473-12
0.336
MAR-TRE-3e4e6814-4
0.336
MAR-TRE-b77b7921-5
0.336
MAR-TRE-67513f76-91
0.333
MAR-TRE-3e4e6814-69
0.333
MAR-TRE-04c86cea-70
0.333
MAR-TRE-04c86cea-33
0.333
MAR-TRE-3159af1a-73
0.333
MAR-TRE-9c797165-40
0.333
MAR-TRE-67513f76-2
0.333
MAR-TRE-04c86cea-57
0.333