Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)O)c2cccnc21 |
MW: | 235.06 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 94.19 |
cLogP: | -0.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1481182867 |
MolPort: | MolPort-015-139-288 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-3e4e6814-1
0.606
MAR-TRE-7f7bb9f0-87
0.596
MAR-TRE-67513f76-2
0.588
MAR-TRE-b77b7921-54
0.574
MAR-TRE-7f7bb9f0-17
0.574
MAR-TRE-4b834d9a-7
0.565
MAR-TRE-67513f76-18
0.565
MAR-TRE-4b834d9a-39
0.557
MAR-TRE-4b834d9a-55
0.557
MAR-TRE-4b834d9a-99
0.549
MAR-TRE-4b834d9a-8
0.542
MAR-TRE-b77b7921-11
0.542
MAR-TRE-7f7bb9f0-57
0.542
MAR-TRE-9c797165-61
0.542
MAR-TRE-4b834d9a-2
0.534
MAR-TRE-4b834d9a-3
0.520
MAR-TRE-d0525fbf-28
0.520
MAR-TRE-67513f76-91
0.506
MAR-TRE-d0525fbf-23
0.506
MAR-TRE-3e4e6814-72
0.500
MAR-TRE-9c797165-25
0.500
MAR-TRE-04c86cea-77
0.494
MAR-TRE-d0525fbf-100
0.487
MAR-TRE-d0525fbf-39
0.481
MAR-TRE-67513f76-26
0.422
MAR-TRE-9c797165-36
0.403
MAR-TRE-3e4e6814-5
0.395
MAR-TRE-3e4e6814-3
0.390
MAR-TRE-7f7bb9f0-39
0.387
MAR-TRE-67513f76-27
0.380
MAR-TRE-9c797165-15
0.377
MAR-TRE-74c6519b-78
0.375
MAR-TRE-7f7bb9f0-85
0.372
MAR-TRE-3e4e6814-69
0.368
MAR-TRE-4b834d9a-32
0.367
MAR-TRE-74c6519b-73
0.367
MAR-TRE-4b834d9a-40
0.362
MAR-TRE-4b834d9a-95
0.362
MAR-TRE-7f7bb9f0-78
0.354
MAR-TRE-4b834d9a-33
0.354
MAR-TRE-f6f5f473-66
0.354
MAR-TRE-9c797165-45
0.350
MAR-TRE-74c6519b-25
0.349
MAR-TRE-74c6519b-75
0.349
MAR-TRE-9c797165-40
0.349
MAR-TRE-d0525fbf-43
0.349
MAR-TRE-67513f76-94
0.346
MAR-TRE-4b834d9a-25
0.345
MAR-TRE-3e4e6814-12
0.345
MAR-TRE-4b834d9a-93
0.344
MAR-TRE-4b834d9a-84
0.341
MAR-TRE-3e4e6814-10
0.341
MAR-TRE-3e4e6814-18
0.341
MAR-TRE-9c797165-89
0.341
MAR-TRE-7f7bb9f0-29
0.341
MAR-TRE-b77b7921-100
0.341
MAR-TRE-f6f5f473-89
0.341
MAR-TRE-3e4e6814-90
0.341
MAR-TRE-f6f5f473-40
0.341
MAR-TRE-f6f5f473-54
0.341
MAR-TRE-f6f5f473-92
0.340
MAR-TRE-3e4e6814-36
0.337
MAR-TRE-3e4e6814-14
0.337
MAR-TRE-3e4e6814-76
0.333
MAR-TRE-74c6519b-10
0.333
MAR-TRE-74c6519b-71
0.333
MAR-TRE-b77b7921-69
0.333
MAR-TRE-f6f5f473-94
0.333
MAR-TRE-9c797165-74
0.333
MAR-TRE-3e4e6814-7
0.330
MAR-TRE-74c6519b-3
0.329
MAR-TRE-4b834d9a-87
0.326
MAR-TRE-74c6519b-60
0.326
MAR-TRE-04c86cea-73
0.326
MAR-TRE-74c6519b-27
0.326
MAR-TRE-b77b7921-93
0.326
MAR-TRE-f6f5f473-34
0.326
MAR-TRE-f6f5f473-55
0.326
MAR-TRE-b77b7921-29
0.322
MAR-TRE-74c6519b-36
0.322
MAR-TRE-b77b7921-16
0.322
MAR-TRE-74c6519b-6
0.322
MAR-TRE-7f7bb9f0-93
0.322
MAR-TRE-9c797165-92
0.322
MAR-TRE-3e4e6814-20
0.321
MAR-TRE-04c86cea-89
0.319
MAR-TRE-b77b7921-23
0.319
MAR-TRE-04c86cea-55
0.319
MAR-TRE-74c6519b-9
0.319
MAR-TRE-9c797165-97
0.319
MAR-TRE-4b834d9a-14
0.318
MAR-TRE-4b834d9a-23
0.318
MAR-TRE-b77b7921-4
0.318
MAR-TRE-3e4e6814-86
0.318
MAR-TRE-9c797165-78
0.318
MAR-TRE-67513f76-23
0.318
MAR-TRE-4b834d9a-6
0.315
MAR-TRE-4b834d9a-37
0.315
MAR-TRE-f6f5f473-68
0.315
MAR-TRE-67513f76-76
0.315