Molecular Properties | |
SMILES: | CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)c(=O)n(C)c3ncccc32)C1 |
MW: | 374.16 |
Fraction sp3: | 0.5 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 103.5 |
cLogP: | -0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
diketo group
Carboxylic acid esters
Filter82_pyridinium
aliphatic ester, not lactones
Ester
dyes5A(27)
MAR-TRE-9c797165-61
0.522
MAR-TRE-9c797165-18
0.487
MAR-TRE-67513f76-91
0.465
MAR-TRE-b77b7921-54
0.417
MAR-TRE-7f7bb9f0-57
0.414
MAR-TRE-04c86cea-77
0.413
MAR-TRE-67513f76-2
0.412
MAR-TRE-4b834d9a-39
0.408
MAR-TRE-4b834d9a-55
0.408
MAR-TRE-3e4e6814-1
0.406
MAR-TRE-9c797165-25
0.404
MAR-TRE-7f7bb9f0-17
0.402
MAR-TRE-4b834d9a-8
0.400
MAR-TRE-b77b7921-11
0.400
MAR-TRE-67513f76-18
0.398
MAR-TRE-4b834d9a-7
0.398
MAR-TRE-4b834d9a-2
0.396
MAR-TRE-4b834d9a-99
0.390
MAR-TRE-d0525fbf-28
0.388
MAR-TRE-4b834d9a-3
0.388
MAR-TRE-9c797165-40
0.382
MAR-TRE-d0525fbf-23
0.381
MAR-TRE-3e4e6814-72
0.377
MAR-TRE-d0525fbf-39
0.367
MAR-TRE-7f7bb9f0-29
0.363
MAR-TRE-3e4e6814-10
0.350
MAR-TRE-3e4e6814-35
0.348
MAR-TRE-3e4e6814-20
0.346
MAR-TRE-b77b7921-16
0.346
MAR-TRE-b77b7921-22
0.345
MAR-TRE-4b834d9a-32
0.343
MAR-TRE-9c797165-97
0.342
MAR-TRE-4b834d9a-51
0.342
MAR-TRE-9c797165-36
0.340
MAR-TRE-9c797165-89
0.337
MAR-TRE-4b834d9a-84
0.337
MAR-TRE-2fd8122f-30
0.337
MAR-TRE-b77b7921-93
0.336
MAR-TRE-4b834d9a-30
0.336
MAR-TRE-7f7bb9f0-87
0.333
MAR-TRE-b77b7921-69
0.330
MAR-TRE-74c6519b-71
0.330
MAR-TRE-67513f76-94
0.327
MAR-TRE-7f7bb9f0-34
0.325
MAR-TRE-74c6519b-36
0.321
MAR-TRE-04c86cea-89
0.319
MAR-TRE-67513f76-56
0.318
MAR-TRE-9c797165-51
0.314
MAR-TRE-f6f5f473-54
0.312
MAR-TRE-f6f5f473-89
0.312
MAR-TRE-74c6519b-78
0.311
MAR-TRE-7f7bb9f0-65
0.311
MAR-TRE-9c797165-15
0.311
MAR-TRE-d0525fbf-85
0.310
MAR-TRE-3e4e6814-60
0.307
MAR-TRE-74c6519b-9
0.307
MAR-TRE-74c6519b-75
0.306
MAR-TRE-04c86cea-16
0.305
MAR-TRE-7f7bb9f0-39
0.304
MAR-TRE-67513f76-77
0.304
MAR-TRE-f6f5f473-70
0.304
MAR-TRE-74c6519b-3
0.303
MAR-TRE-f6f5f473-53
0.303
MAR-TRE-f6f5f473-88
0.301
MAR-TRE-b77b7921-59
0.297
MAR-TRE-f6f5f473-43
0.295
MAR-TRE-67513f76-28
0.294
SAD-SAT-65574d3f-6
0.294
MAR-TRE-9c797165-74
0.294
MAR-TRE-3e4e6814-37
0.293
MAR-TRE-74c6519b-73
0.292
MAR-TRE-9c797165-45
0.292
MAR-TRE-74c6519b-61
0.292
MAR-TRE-74c6519b-88
0.292
MAR-TRE-f6f5f473-72
0.291
MAR-TRE-4b834d9a-95
0.290
MAR-TRE-67513f76-27
0.290
MAR-TRE-3159af1a-70
0.289
MAR-TRE-04c86cea-20
0.289
MAR-TRE-04c86cea-11
0.288
MAR-TRE-04c86cea-25
0.288
MAR-TRE-3e4e6814-75
0.287
MAR-TRE-3e4e6814-71
0.287
MAR-TRE-74c6519b-5
0.287
MAR-TRE-04c86cea-56
0.287
MAR-TRE-3e4e6814-5
0.286
MAR-TRE-b77b7921-61
0.286
MAR-TRE-b77b7921-10
0.285
MAR-TRE-67513f76-62
0.284
MAR-TRE-f6f5f473-50
0.284
MAR-TRE-f6f5f473-44
0.283
MAR-TRE-3e4e6814-26
0.283
MAR-TRE-74c6519b-10
0.283
MAR-TRE-b77b7921-4
0.283
MAR-TRE-f6f5f473-82
0.283
MAR-TRE-3e4e6814-3
0.283
MAR-TRE-7f7bb9f0-85
0.283
MAR-TRE-74c6519b-25
0.282
MAR-TRE-d0525fbf-43
0.282
MAR-TRE-f6f5f473-92
0.281