Molecular Properties | |
SMILES: | CCOC(=O)CC(NC(=O)c1cncnc1)c1ccc(F)cc1F |
MW: | 335.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 81.18 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
Long aliphatic chain
MAR-TRE-a9136c7b-46
0.815
MAR-TRE-a9136c7b-33
0.638
MAR-TRE-e82e6c98-13
0.541
MAR-TRE-66ac689e-95
0.493
MAR-TRE-a9136c7b-52
0.470
MAR-TRE-92684b97-71
0.455
MAR-TRE-c317dd82-94
0.449
MAR-TRE-9d18ae8c-97
0.449
MAR-TRE-66ac689e-62
0.446
MAR-TRE-66ac689e-80
0.430
MAR-TRE-66ac689e-68
0.425
MAR-TRE-a9136c7b-91
0.425
MAR-TRE-92684b97-68
0.424
MAR-TRE-92684b97-56
0.421
MAR-TRE-799db12b-46
0.412
MAR-TRE-9d18ae8c-40
0.412
MAR-TRE-2fd8122f-45
0.412
MAR-TRE-4f781e27-71
0.405
MAR-TRE-be9ff7d2-86
0.402
MAR-TRE-e82e6c98-46
0.400
MAR-TRE-799db12b-15
0.398
MAR-TRE-66ac689e-57
0.397
MAR-TRE-92684b97-86
0.395
MAR-TRE-92684b97-2
0.391
MAR-TRE-92684b97-85
0.390
MAR-TRE-9d18ae8c-59
0.390
MAR-TRE-a9136c7b-59
0.388
MAR-TRE-66ac689e-18
0.388
MAR-TRE-66ac689e-84
0.386
MAR-TRE-92684b97-87
0.385
MAR-TRE-be9ff7d2-48
0.385
MAR-TRE-799db12b-47
0.383
MAR-TRE-c317dd82-24
0.381
MAR-TRE-a9136c7b-49
0.381
MAR-TRE-66ac689e-97
0.381
MAR-TRE-66ac689e-49
0.380
MAR-TRE-66ac689e-79
0.378
MAR-TRE-e82e6c98-70
0.377
MAR-TRE-8190bb11-11
0.375
MAR-TRE-8190bb11-47
0.375
MAR-TRE-9d18ae8c-21
0.375
MAR-TRE-799db12b-79
0.373
MAR-TRE-66ac689e-52
0.371
MAR-TRE-4f781e27-91
0.370
MAR-TRE-66ac689e-41
0.370
MAR-TRE-799db12b-12
0.370
MAR-TRE-a9136c7b-36
0.366
MAR-TRE-4f781e27-40
0.366
MAR-TRE-799db12b-80
0.365
MAR-TRE-799db12b-78
0.364
WIL-UNI-1faa9b10-26
0.364
MAR-TRE-a9136c7b-12
0.364
MAR-TRE-4f781e27-73
0.362
MAR-TRE-66ac689e-42
0.361
MAR-TRE-799db12b-55
0.361
MAR-TRE-799db12b-94
0.361
MAR-TRE-a9136c7b-66
0.358
MAR-TRE-92684b97-41
0.358
MAR-TRE-9d18ae8c-87
0.358
MAR-TRE-92684b97-49
0.358
MAR-TRE-66ac689e-100
0.357
MAR-TRE-92684b97-93
0.356
MAR-TRE-66ac689e-58
0.354
MAR-TRE-799db12b-61
0.354
MAR-TRE-e82e6c98-20
0.354
MAR-TRE-e82e6c98-71
0.354
MAR-TRE-a9136c7b-48
0.354
MAR-TRE-799db12b-96
0.354
MAR-TRE-4f781e27-24
0.354
MAR-TRE-799db12b-50
0.353
MAR-TRE-66ac689e-87
0.352
MAR-TRE-c317dd82-48
0.351
MAR-TRE-4f781e27-86
0.349
MAR-TRE-be9ff7d2-28
0.349
MAR-TRE-be9ff7d2-64
0.349
MAR-TRE-66ac689e-94
0.349
MAR-TRE-a9136c7b-69
0.348
MAR-TRE-a9136c7b-22
0.347
MAR-TRE-be9ff7d2-47
0.346
MAR-TRE-c317dd82-76
0.345
MAR-TRE-4f781e27-14
0.345
MAR-TRE-66ac689e-92
0.345
MAR-TRE-4f781e27-56
0.345
MAR-TRE-4f781e27-68
0.345
MAR-TRE-9d18ae8c-80
0.345
MAR-TRE-9d18ae8c-1
0.344
MAR-TRE-92684b97-80
0.341
MAR-TRE-9d18ae8c-64
0.341
MAR-TRE-a9136c7b-98
0.341
MAR-TRE-9d18ae8c-94
0.341
MAR-TRE-92684b97-32
0.341
MAR-TRE-be9ff7d2-3
0.337
MAR-TRE-8190bb11-97
0.337
MAR-TRE-92684b97-77
0.337
MAR-TRE-a9136c7b-55
0.337
MAR-TRE-e82e6c98-34
0.337
MAR-TRE-66ac689e-85
0.337
MAR-TRE-4f781e27-44
0.337
MAR-TRE-9d18ae8c-99
0.337
MAR-TRE-799db12b-75
0.337