Molecular Properties | |
SMILES: | COC(=O)CC(C)(NC(=O)c1cncnc1)c1ccc(F)cc1 |
MW: | 317.12 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.18 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-8190bb11-74
0.754
MAR-TRE-e82e6c98-9
0.733
MAR-TRE-799db12b-75
0.672
MAR-TRE-799db12b-90
0.592
MAR-TRE-66ac689e-86
0.545
MAR-TRE-66ac689e-23
0.437
MAR-TRE-66ac689e-75
0.435
MAR-TRE-e82e6c98-11
0.432
MAR-TRE-66ac689e-95
0.419
MAR-TRE-8190bb11-36
0.419
MAR-TRE-be9ff7d2-28
0.416
MAR-TRE-4f781e27-78
0.414
MAR-TRE-c317dd82-76
0.413
MAR-TRE-8190bb11-22
0.413
MAR-TRE-799db12b-41
0.411
MAR-TRE-66ac689e-14
0.397
MAR-TRE-66ac689e-70
0.397
MAR-TRE-a9136c7b-81
0.395
MAR-TRE-9d18ae8c-40
0.395
MAR-TRE-92684b97-26
0.392
MAR-TRE-4f781e27-74
0.382
MAR-TRE-92684b97-83
0.377
MAR-TRE-8190bb11-85
0.375
MAR-TRE-9d18ae8c-85
0.373
MAR-TRE-a9136c7b-46
0.370
MAR-TRE-be9ff7d2-65
0.370
MAR-TRE-8190bb11-58
0.367
MAR-TRE-8190bb11-92
0.367
MAR-TRE-8190bb11-62
0.360
MAR-TRE-4f781e27-32
0.360
MAR-TRE-92684b97-41
0.355
MAR-TRE-9d18ae8c-21
0.355
MAR-TRE-e82e6c98-15
0.351
MAR-TRE-66ac689e-58
0.351
MAR-TRE-66ac689e-62
0.351
MAR-TRE-92684b97-75
0.351
MAR-TRE-be9ff7d2-86
0.350
MAR-TRE-4f781e27-85
0.347
MAR-TRE-8190bb11-42
0.342
MAR-TRE-92684b97-91
0.341
MAR-TRE-9d18ae8c-7
0.341
MAR-TRE-e82e6c98-55
0.338
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-799db12b-79
0.338
MAR-TRE-92684b97-54
0.338
MAR-TRE-be9ff7d2-36
0.333
MAR-TRE-be9ff7d2-83
0.333
MAR-TRE-e82e6c98-71
0.333
MAR-TRE-a9136c7b-12
0.329
MAR-TRE-a9136c7b-58
0.329
MAR-TRE-e82e6c98-91
0.329
MAR-TRE-799db12b-44
0.329
MAR-TRE-799db12b-80
0.329
MAR-TRE-92684b97-71
0.329
MAR-TRE-c317dd82-48
0.329
MAR-TRE-4f781e27-56
0.325
MAR-TRE-92684b97-82
0.325
MAR-TRE-e82e6c98-16
0.325
MAR-TRE-e82e6c98-1
0.325
MAR-TRE-799db12b-46
0.325
MAR-TRE-66ac689e-80
0.325
MAR-TRE-4f781e27-14
0.325
MAR-TRE-be9ff7d2-47
0.324
MAR-TRE-799db12b-12
0.322
MAR-TRE-a9136c7b-45
0.322
MAR-TRE-8190bb11-18
0.322
MAR-TRE-8190bb11-38
0.321
MAR-TRE-66ac689e-100
0.321
MAR-TRE-8190bb11-49
0.321
MAR-TRE-92684b97-15
0.321
MAR-TRE-8190bb11-57
0.321
MAR-TRE-66ac689e-88
0.321
MAR-TRE-e82e6c98-39
0.321
MAR-TRE-66ac689e-85
0.317
MAR-TRE-799db12b-50
0.317
MAR-TRE-e82e6c98-34
0.317
MAR-TRE-9d18ae8c-99
0.317
MAR-TRE-c317dd82-82
0.316
MAR-TRE-66ac689e-18
0.316
MAR-TRE-e82e6c98-68
0.316
MAR-TRE-66ac689e-11
0.314
MAR-TRE-92684b97-46
0.314
MAR-TRE-799db12b-70
0.313
MAR-TRE-8190bb11-95
0.313
MAR-TRE-c317dd82-6
0.313
MAR-TRE-66ac689e-94
0.313
MAR-TRE-a9136c7b-49
0.313
MAR-TRE-8190bb11-78
0.312
MAR-TRE-92684b97-11
0.312
MAR-TRE-e82e6c98-77
0.312
MAR-TRE-92684b97-66
0.312
MAR-TRE-92684b97-78
0.311
MAR-TRE-8190bb11-76
0.310
MAR-TRE-c317dd82-90
0.310
MAR-TRE-4f781e27-80
0.310
MAR-TRE-e82e6c98-14
0.310
MAR-TRE-a9136c7b-33
0.309
MAR-TRE-66ac689e-42
0.309
MAR-TRE-4f781e27-28
0.309
MAR-TRE-4f781e27-22
0.309