Molecular Properties | |
SMILES: | COC(=O)C(CNC(=O)c1cncnc1)Cc1ccc(O)c(F)c1 |
MW: | 333.11 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.41 |
cLogP: | 1.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-8190bb11-18
0.577
MAR-TRE-92684b97-91
0.494
MAR-TRE-92684b97-75
0.493
MAR-TRE-8190bb11-68
0.476
MAR-TRE-85681e92-40
0.468
MAR-TRE-92684b97-72
0.468
MAR-TRE-92684b97-47
0.463
MAR-TRE-4f781e27-36
0.450
MAR-TRE-92684b97-46
0.440
MAR-TRE-66ac689e-87
0.429
MAR-TRE-8190bb11-97
0.418
MAR-TRE-92684b97-88
0.412
MAR-TRE-8190bb11-95
0.410
MAR-TRE-4f781e27-84
0.405
MAR-TRE-e82e6c98-77
0.397
MAR-TRE-be9ff7d2-49
0.392
MAR-TRE-a9136c7b-22
0.387
MAR-TRE-66ac689e-98
0.386
MAR-TRE-e82e6c98-56
0.381
MAR-TRE-799db12b-12
0.380
MAR-TRE-8190bb11-70
0.379
MAR-TRE-a9136c7b-78
0.375
MAR-TRE-e82e6c98-14
0.372
MAR-TRE-799db12b-87
0.368
MAR-TRE-66ac689e-71
0.365
MAR-TRE-a9136c7b-5
0.359
MAR-TRE-4f781e27-22
0.357
MAR-TRE-4f781e27-56
0.356
MAR-TRE-be9ff7d2-7
0.355
MAR-TRE-8190bb11-85
0.354
MAR-TRE-e82e6c98-76
0.354
MAR-TRE-4f781e27-24
0.349
MAR-TRE-799db12b-48
0.348
MAR-TRE-4f781e27-69
0.348
MAR-TRE-4f781e27-85
0.346
MAR-TRE-66ac689e-95
0.345
MAR-TRE-be9ff7d2-43
0.345
MAR-TRE-799db12b-84
0.345
MAR-TRE-66ac689e-11
0.344
MAR-TRE-8190bb11-42
0.341
MAR-TRE-92684b97-82
0.341
MAR-TRE-92684b97-92
0.341
MAR-TRE-be9ff7d2-67
0.338
MAR-TRE-85681e92-51
0.338
MAR-TRE-8190bb11-24
0.338
MAR-TRE-4f781e27-99
0.337
MAR-TRE-c317dd82-63
0.337
MAR-TRE-a9136c7b-91
0.337
MAR-TRE-799db12b-79
0.337
MAR-TRE-4f781e27-16
0.337
MAR-TRE-a9136c7b-46
0.337
MAR-TRE-9d18ae8c-86
0.337
MAR-TRE-4f781e27-26
0.337
MAR-TRE-4f781e27-58
0.333
MAR-TRE-9d18ae8c-19
0.333
MAR-TRE-9d18ae8c-24
0.333
MAR-TRE-c317dd82-38
0.333
MAR-TRE-4f781e27-5
0.330
MAR-TRE-a9136c7b-58
0.330
MAR-TRE-66ac689e-97
0.330
NIC-BIO-7d400292-1
0.330
MAR-TRE-799db12b-44
0.330
MAR-TRE-85681e92-42
0.329
MAR-TRE-92684b97-11
0.329
MAR-TRE-be9ff7d2-90
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-c317dd82-48
0.329
MAR-TRE-92684b97-78
0.329
NIC-BIO-7d400292-4
0.326
MAR-TRE-8190bb11-86
0.326
NIC-BIO-7d400292-2
0.326
MAR-TRE-66ac689e-12
0.326
MAR-TRE-9d18ae8c-40
0.326
MAR-TRE-c317dd82-35
0.326
MAR-TRE-66ac689e-80
0.326
MAR-TRE-4f781e27-14
0.326
MAR-TRE-c317dd82-94
0.326
MAR-TRE-66ac689e-57
0.325
MAR-TRE-85681e92-46
0.325
MAR-TRE-4f781e27-82
0.323
NIC-BIO-7d400292-3
0.323
MAR-TRE-4f781e27-27
0.323
MAR-TRE-4f781e27-71
0.322
MAR-TRE-e82e6c98-95
0.322
MAR-TRE-66ac689e-81
0.322
MAR-TRE-92684b97-54
0.322
MAR-TRE-8190bb11-49
0.322
MAR-TRE-4f781e27-45
0.322
MAR-TRE-92684b97-41
0.321
MAR-TRE-799db12b-35
0.321
MAR-TRE-9d18ae8c-85
0.321
MAR-TRE-9d18ae8c-87
0.321
MAR-TRE-8190bb11-57
0.321
MAR-TRE-a9136c7b-31
0.320
MAR-TRE-8190bb11-23
0.319
MAR-TRE-be9ff7d2-73
0.319
MAR-TRE-799db12b-75
0.319
MAR-TRE-799db12b-33
0.319
MAR-TRE-be9ff7d2-86
0.318
MAR-TRE-66ac689e-84
0.318