Molecular Properties | |
SMILES: | Cn1c(=O)c(=O)n(CC(=O)O)c2ncccc21 |
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 | |
MolPort: | MolPort-007-675-004 |
diketo group
Filter82_pyridinium
dyes5A(27)
MAR-TRE-9c797165-18
0.596
MAR-TRE-b77b7921-54
0.421
MAR-TRE-3e4e6814-5
0.408
MAR-TRE-7f7bb9f0-39
0.400
MAR-TRE-74c6519b-73
0.397
MAR-TRE-67513f76-2
0.397
MAR-TRE-4b834d9a-7
0.397
MAR-TRE-9c797165-36
0.397
MAR-TRE-67513f76-26
0.394
MAR-TRE-67513f76-27
0.392
MAR-TRE-4b834d9a-40
0.392
MAR-TRE-4b834d9a-55
0.392
MAR-TRE-3e4e6814-1
0.390
MAR-TRE-7f7bb9f0-17
0.385
MAR-TRE-7f7bb9f0-85
0.385
MAR-TRE-3e4e6814-3
0.385
MAR-TRE-67513f76-18
0.380
MAR-TRE-4b834d9a-2
0.378
MAR-TRE-4b834d9a-95
0.375
MAR-TRE-4b834d9a-39
0.375
MAR-TRE-4b834d9a-25
0.373
MAR-TRE-9c797165-25
0.372
MAR-TRE-74c6519b-78
0.370
MAR-TRE-4b834d9a-99
0.370
MAR-TRE-4b834d9a-8
0.366
MAR-TRE-4b834d9a-33
0.366
MAR-TRE-b77b7921-11
0.366
MAR-TRE-f6f5f473-66
0.366
MAR-TRE-f6f5f473-92
0.366
MAR-TRE-74c6519b-25
0.361
MAR-TRE-d0525fbf-43
0.361
MAR-TRE-d0525fbf-23
0.360
MAR-TRE-67513f76-91
0.360
MAR-TRE-3e4e6814-72
0.356
MAR-TRE-d0525fbf-28
0.353
MAR-TRE-4b834d9a-3
0.353
MAR-TRE-3e4e6814-90
0.353
MAR-TRE-f6f5f473-54
0.352
MAR-TRE-7f7bb9f0-57
0.349
MAR-TRE-9c797165-61
0.349
MAR-TRE-4b834d9a-32
0.346
MAR-TRE-9c797165-40
0.345
MAR-TRE-74c6519b-75
0.345
MAR-TRE-4b834d9a-93
0.341
MAR-TRE-f6f5f473-89
0.337
MAR-TRE-04c86cea-73
0.337
MAR-TRE-f6f5f473-40
0.337
MAR-TRE-d0525fbf-100
0.333
MAR-TRE-d0525fbf-39
0.330
MAR-TRE-67513f76-56
0.330
MAR-TRE-3e4e6814-69
0.329
MAR-TRE-04c86cea-74
0.323
MAR-TRE-04c86cea-77
0.322
MAR-TRE-74c6519b-60
0.322
MAR-TRE-f6f5f473-34
0.322
MAR-TRE-3e4e6814-10
0.321
MAR-TRE-3e4e6814-18
0.321
MAR-TRE-04c86cea-12
0.319
MAR-TRE-3e4e6814-14
0.318
MAR-TRE-04c86cea-55
0.315
MAR-TRE-b77b7921-4
0.315
MAR-TRE-b77b7921-69
0.315
MAR-TRE-f6f5f473-43
0.315
MAR-TRE-f6f5f473-94
0.313
MAR-TRE-9c797165-45
0.313
MAR-TRE-3e4e6814-7
0.311
MAR-TRE-f6f5f473-53
0.310
MAR-TRE-74c6519b-3
0.310
MAR-TRE-3e4e6814-12
0.310
MAR-TRE-3e4e6814-35
0.309
MAR-TRE-4b834d9a-47
0.308
MAR-TRE-f6f5f473-88
0.308
MAR-TRE-b77b7921-100
0.307
MAR-TRE-04c86cea-69
0.307
MAR-TRE-f6f5f473-55
0.307
MAR-TRE-9c797165-89
0.306
MAR-TRE-4b834d9a-84
0.306
MAR-TRE-9c797165-15
0.305
MAR-TRE-74c6519b-36
0.304
MAR-TRE-74c6519b-5
0.304
MAR-TRE-b77b7921-22
0.304
MAR-TRE-b77b7921-27
0.304
MAR-TRE-74c6519b-6
0.303
MAR-TRE-b77b7921-16
0.303
MAR-TRE-4b834d9a-51
0.302
MAR-TRE-04c86cea-89
0.302
MAR-TRE-d0525fbf-41
0.301
MAR-TRE-b77b7921-43
0.301
MAR-TRE-3e4e6814-86
0.300
MAR-TRE-f6f5f473-82
0.300
MAR-TRE-74c6519b-65
0.299
MAR-TRE-74c6519b-71
0.299
MAR-TRE-9c797165-74
0.299
MAR-TRE-f6f5f473-93
0.298
MAR-TRE-67513f76-77
0.297
MAR-TRE-4b834d9a-37
0.297
MAR-TRE-74c6519b-59
0.297
MAR-TRE-f6f5f473-42
0.296
MAR-TRE-d0525fbf-4
0.295
MAR-TRE-b77b7921-20
0.295