Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)c(=O)n(CC(=O)N[C@@H](C)c3ccccc3)c3cccnc32)cc1 |
MW: | 428.18 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-3e4e6814-3
0.688
MAR-TRE-f6f5f473-66
0.635
MAR-TRE-74c6519b-75
0.628
MAR-TRE-f6f5f473-92
0.621
MAR-TRE-3e4e6814-1
0.614
MAR-TRE-04c86cea-73
0.587
MAR-TRE-f6f5f473-54
0.587
MAR-TRE-04c86cea-74
0.579
MAR-TRE-04c86cea-12
0.573
MAR-TRE-3e4e6814-36
0.554
MAR-TRE-3e4e6814-76
0.532
MAR-TRE-3e4e6814-35
0.531
MAR-TRE-4b834d9a-87
0.521
MAR-TRE-4b834d9a-51
0.505
MAR-TRE-f6f5f473-89
0.495
MAR-TRE-4b834d9a-93
0.490
MAR-TRE-04c86cea-55
0.480
MAR-TRE-74c6519b-73
0.478
MAR-TRE-9c797165-36
0.466
MAR-TRE-04c86cea-57
0.465
MAR-TRE-b77b7921-98
0.446
MAR-TRE-b77b7921-69
0.440
MAR-TRE-74c6519b-36
0.427
MAR-TRE-3e4e6814-5
0.426
MAR-TRE-f6f5f473-61
0.415
MAR-TRE-b77b7921-68
0.413
MAR-TRE-74c6519b-59
0.408
MAR-TRE-f6f5f473-34
0.406
MAR-TRE-f6f5f473-93
0.406
MAR-TRE-74c6519b-25
0.400
MAR-TRE-4b834d9a-95
0.398
MAR-TRE-74c6519b-72
0.394
MAR-TRE-b77b7921-100
0.392
MAR-TRE-3e4e6814-69
0.389
MAR-TRE-3e4e6814-70
0.389
MAR-TRE-3e4e6814-71
0.387
MAR-TRE-04c86cea-11
0.385
MAR-TRE-74c6519b-78
0.380
MAR-TRE-3e4e6814-90
0.379
MAR-TRE-f6f5f473-55
0.379
MAR-TRE-7f7bb9f0-85
0.378
MAR-TRE-7f7bb9f0-57
0.376
MAR-TRE-7f7bb9f0-39
0.375
MAR-TRE-74c6519b-6
0.375
MAR-TRE-f6f5f473-42
0.375
MAR-TRE-67513f76-27
0.370
MAR-TRE-4b834d9a-25
0.369
MAR-TRE-9c797165-89
0.366
MAR-TRE-4b834d9a-33
0.363
MAR-TRE-3e4e6814-14
0.362
MAR-TRE-74c6519b-5
0.361
MAR-TRE-f6f5f473-21
0.361
MAR-TRE-d0525fbf-43
0.359
MAR-TRE-4b834d9a-40
0.356
MAR-TRE-4b834d9a-55
0.356
MAR-TRE-74c6519b-30
0.355
MAR-TRE-74c6519b-40
0.355
MAR-TRE-3e4e6814-21
0.352
MAR-TRE-74c6519b-60
0.352
MAR-TRE-b77b7921-11
0.350
MAR-TRE-74c6519b-21
0.348
MAR-TRE-9c797165-45
0.347
MAR-TRE-f6f5f473-43
0.346
MAR-TRE-3e4e6814-12
0.343
MAR-TRE-f6f5f473-17
0.343
MAR-TRE-9c797165-18
0.341
MAR-TRE-4b834d9a-5
0.339
MAR-TRE-f6f5f473-88
0.339
MAR-TRE-7f7bb9f0-87
0.337
MAR-TRE-b77b7921-54
0.337
MAR-TRE-04c86cea-80
0.336
MAR-TRE-74c6519b-39
0.336
MAR-TRE-b77b7921-90
0.336
MAR-TRE-04c86cea-1
0.336
MAR-TRE-9c797165-40
0.333
MAR-TRE-4b834d9a-22
0.333
MAR-TRE-3e4e6814-60
0.333
MAR-TRE-74c6519b-92
0.333
MAR-TRE-f6f5f473-22
0.330
MAR-TRE-f6f5f473-68
0.330
MAR-TRE-4b834d9a-39
0.330
MAR-TRE-4b834d9a-18
0.327
MAR-TRE-04c86cea-21
0.327
MAR-TRE-04c86cea-69
0.327
MAR-TRE-9c797165-15
0.327
MAR-TRE-b77b7921-48
0.325
MAR-TRE-f6f5f473-12
0.324
MAR-TRE-9c797165-92
0.324
MAR-TRE-7f7bb9f0-17
0.324
MAR-TRE-f6f5f473-86
0.324
MAR-TRE-04c86cea-33
0.322
MAR-TRE-04c86cea-6
0.321
MAR-TRE-3e4e6814-11
0.321
MAR-TRE-3e4e6814-25
0.321
MAR-TRE-04c86cea-4
0.321
MAR-TRE-04c86cea-70
0.321
MAR-TRE-3e4e6814-86
0.321
MAR-TRE-4b834d9a-2
0.321
MAR-TRE-74c6519b-65
0.321
MAR-TRE-67513f76-2
0.320