Molecular Properties | |
SMILES: | CCOC(=O)C(NC(=O)c1cncnc1)c1cccc(O)c1 |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 101.41 |
cLogP: | 1.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
Long aliphatic chain
MAR-TRE-8190bb11-71
0.689
MAR-TRE-799db12b-78
0.597
MAR-TRE-4f781e27-14
0.565
MAR-TRE-4f781e27-45
0.557
MAR-TRE-66ac689e-41
0.536
MAR-TRE-92684b97-17
0.507
MAR-TRE-66ac689e-93
0.500
MAR-TRE-8190bb11-10
0.493
MAR-TRE-66ac689e-71
0.486
MAR-TRE-8190bb11-28
0.486
MAR-TRE-8190bb11-59
0.486
MAR-TRE-92684b97-35
0.486
MAR-TRE-a9136c7b-70
0.480
MAR-TRE-9d18ae8c-60
0.468
MAR-TRE-c317dd82-41
0.463
MAR-TRE-66ac689e-52
0.463
MAR-TRE-9d18ae8c-85
0.458
MAR-TRE-4f781e27-40
0.446
MAR-TRE-92684b97-80
0.438
MAR-TRE-9d18ae8c-80
0.436
MAR-TRE-799db12b-79
0.434
MAR-TRE-4f781e27-86
0.427
MAR-TRE-799db12b-48
0.425
MAR-TRE-9d18ae8c-17
0.425
MAR-TRE-8190bb11-48
0.425
MAR-TRE-799db12b-55
0.421
MAR-TRE-92684b97-86
0.421
MAR-TRE-9d18ae8c-64
0.419
MAR-TRE-a9136c7b-91
0.416
MAR-TRE-92684b97-85
0.416
MAR-TRE-9d18ae8c-1
0.415
MAR-TRE-799db12b-96
0.413
MAR-TRE-92684b97-77
0.413
MAR-TRE-66ac689e-97
0.405
MAR-TRE-799db12b-95
0.403
MAR-TRE-66ac689e-72
0.403
MAR-TRE-9d18ae8c-28
0.403
MAR-TRE-9d18ae8c-22
0.402
MAR-TRE-8190bb11-11
0.400
MAR-TRE-4f781e27-56
0.400
MAR-TRE-e82e6c98-13
0.397
MAR-TRE-4f781e27-71
0.395
MAR-TRE-66ac689e-61
0.395
MAR-TRE-799db12b-23
0.395
MAR-TRE-8190bb11-54
0.395
MAR-TRE-799db12b-61
0.395
MAR-TRE-4f781e27-24
0.395
MAR-TRE-66ac689e-22
0.392
MAR-TRE-66ac689e-27
0.392
MAR-TRE-92684b97-27
0.392
MAR-TRE-9d18ae8c-4
0.390
MAR-TRE-92684b97-18
0.390
MAR-TRE-8190bb11-70
0.390
MAR-TRE-4f781e27-20
0.386
MAR-TRE-a9136c7b-58
0.386
MAR-TRE-9d18ae8c-97
0.385
MAR-TRE-92684b97-12
0.384
MAR-TRE-799db12b-19
0.384
MAR-TRE-8190bb11-91
0.384
MAR-TRE-9d18ae8c-87
0.382
MAR-TRE-66ac689e-68
0.380
MAR-TRE-e82e6c98-30
0.378
MAR-TRE-8190bb11-14
0.378
MAR-TRE-8190bb11-26
0.378
MAR-TRE-e82e6c98-71
0.377
MAR-TRE-92684b97-1
0.376
MAR-TRE-799db12b-73
0.375
MAR-TRE-9d18ae8c-8
0.375
MAR-TRE-9d18ae8c-37
0.375
MAR-TRE-be9ff7d2-86
0.375
MAR-TRE-66ac689e-87
0.373
MAR-TRE-92684b97-50
0.373
MAR-TRE-92684b97-56
0.373
MAR-TRE-9d18ae8c-19
0.372
MAR-TRE-9d18ae8c-24
0.372
MAR-TRE-be9ff7d2-16
0.372
MAR-TRE-92684b97-71
0.372
MAR-TRE-9d18ae8c-67
0.372
MAR-TRE-9d18ae8c-41
0.370
MAR-TRE-be9ff7d2-97
0.370
MAR-TRE-92684b97-47
0.370
MAR-TRE-a9136c7b-35
0.369
MAR-TRE-8190bb11-90
0.369
MAR-TRE-8190bb11-93
0.369
MAR-TRE-92684b97-16
0.369
MAR-TRE-66ac689e-57
0.368
MAR-TRE-9d18ae8c-3
0.368
MAR-TRE-c317dd82-94
0.367
MAR-TRE-799db12b-94
0.367
MAR-TRE-66ac689e-28
0.367
MAR-TRE-66ac689e-92
0.366
MAR-TRE-4f781e27-68
0.366
MAR-TRE-92684b97-98
0.365
MAR-TRE-9d18ae8c-9
0.365
MAR-TRE-a9136c7b-66
0.364
MAR-TRE-be9ff7d2-84
0.362
MAR-TRE-66ac689e-98
0.362
MAR-TRE-66ac689e-81
0.362
MAR-TRE-66ac689e-45
0.361
MAR-TRE-799db12b-87
0.361