Molecular Properties | |
SMILES: | CC[C@@H](C)NC(=O)Cn1c(=O)c(=O)n(CC)c2ncccc21 |
MW: | 304.15 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 0.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-3e4e6814-3
0.686
MAR-TRE-7f7bb9f0-39
0.597
MAR-TRE-7f7bb9f0-85
0.595
MAR-TRE-9c797165-89
0.592
MAR-TRE-3e4e6814-5
0.581
MAR-TRE-4b834d9a-95
0.579
MAR-TRE-74c6519b-73
0.566
MAR-TRE-67513f76-27
0.558
MAR-TRE-4b834d9a-40
0.558
MAR-TRE-74c6519b-25
0.557
MAR-TRE-74c6519b-78
0.551
MAR-TRE-4b834d9a-25
0.550
MAR-TRE-4b834d9a-33
0.544
MAR-TRE-3e4e6814-90
0.543
MAR-TRE-d0525fbf-43
0.537
MAR-TRE-7f7bb9f0-57
0.506
MAR-TRE-9c797165-40
0.500
MAR-TRE-f6f5f473-40
0.466
MAR-TRE-3e4e6814-1
0.463
MAR-TRE-4b834d9a-87
0.433
MAR-TRE-f6f5f473-92
0.427
MAR-TRE-3e4e6814-69
0.420
MAR-TRE-f6f5f473-66
0.419
MAR-TRE-74c6519b-75
0.414
MAR-TRE-3e4e6814-76
0.411
MAR-TRE-7f7bb9f0-17
0.405
MAR-TRE-b77b7921-54
0.405
MAR-TRE-9c797165-18
0.403
MAR-TRE-3e4e6814-36
0.400
MAR-TRE-7f7bb9f0-87
0.397
MAR-TRE-4b834d9a-55
0.395
MAR-TRE-f6f5f473-89
0.389
MAR-TRE-f6f5f473-54
0.387
MAR-TRE-04c86cea-73
0.387
MAR-TRE-67513f76-18
0.384
MAR-TRE-9c797165-45
0.384
MAR-TRE-67513f76-91
0.380
MAR-TRE-04c86cea-55
0.379
MAR-TRE-4b834d9a-93
0.375
MAR-TRE-b77b7921-100
0.374
MAR-TRE-4b834d9a-10
0.371
MAR-TRE-04c86cea-74
0.371
MAR-TRE-b77b7921-11
0.371
MAR-TRE-b77b7921-90
0.368
MAR-TRE-4b834d9a-7
0.368
MAR-TRE-67513f76-2
0.368
MAR-TRE-04c86cea-12
0.367
MAR-TRE-4b834d9a-2
0.367
MAR-TRE-04c86cea-4
0.365
MAR-TRE-4b834d9a-39
0.364
MAR-TRE-9c797165-25
0.362
MAR-TRE-3e4e6814-7
0.362
MAR-TRE-9c797165-15
0.360
MAR-TRE-4b834d9a-99
0.360
MAR-TRE-d0525fbf-28
0.359
MAR-TRE-4b834d9a-3
0.359
MAR-TRE-b77b7921-98
0.358
MAR-TRE-d0525fbf-89
0.357
MAR-TRE-4b834d9a-8
0.356
MAR-TRE-74c6519b-5
0.354
MAR-TRE-04c86cea-1
0.354
MAR-TRE-b77b7921-22
0.354
MAR-TRE-74c6519b-7
0.354
MAR-TRE-d0525fbf-23
0.351
MAR-TRE-b77b7921-69
0.351
MAR-TRE-b77b7921-4
0.351
MAR-TRE-04c86cea-57
0.351
MAR-TRE-d0525fbf-41
0.351
MAR-TRE-4b834d9a-4
0.351
MAR-TRE-4b834d9a-22
0.351
MAR-TRE-4b834d9a-11
0.351
MAR-TRE-74c6519b-9
0.351
MAR-TRE-4b834d9a-20
0.350
MAR-TRE-4b834d9a-51
0.350
MAR-TRE-74c6519b-72
0.350
MAR-TRE-67513f76-94
0.348
MAR-TRE-74c6519b-3
0.348
MAR-TRE-3e4e6814-72
0.347
MAR-TRE-f6f5f473-44
0.347
MAR-TRE-4b834d9a-84
0.344
MAR-TRE-7f7bb9f0-34
0.343
MAR-TRE-3e4e6814-35
0.343
MAR-TRE-4b834d9a-9
0.343
MAR-TRE-b77b7921-68
0.343
MAR-TRE-7f7bb9f0-78
0.341
MAR-TRE-9c797165-92
0.340
MAR-TRE-7f7bb9f0-93
0.340
MAR-TRE-3e4e6814-14
0.340
MAR-TRE-74c6519b-36
0.340
MAR-TRE-4b834d9a-12
0.340
MAR-TRE-d0525fbf-100
0.340
MAR-TRE-9c797165-74
0.337
MAR-TRE-74c6519b-71
0.337
MAR-TRE-74c6519b-92
0.337
MAR-TRE-4b834d9a-83
0.333
MAR-TRE-3e4e6814-12
0.333
MAR-TRE-67513f76-76
0.333
MAR-TRE-f6f5f473-59
0.330
MAR-TRE-74c6519b-60
0.330
MAR-TRE-4b834d9a-5
0.330