Molecular Properties | |
SMILES: | COC(=O)C(C)(NC(=O)c1cncnc1)c1cc(F)ccc1F |
MW: | 321.09 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 1.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-c317dd82-76
0.730
MAR-TRE-66ac689e-86
0.567
MAR-TRE-8190bb11-92
0.521
MAR-TRE-a9136c7b-81
0.493
MAR-TRE-8190bb11-22
0.493
MAR-TRE-8190bb11-36
0.479
MAR-TRE-799db12b-41
0.472
MAR-TRE-66ac689e-70
0.419
MAR-TRE-66ac689e-23
0.419
MAR-TRE-8190bb11-62
0.419
MAR-TRE-66ac689e-75
0.417
MAR-TRE-799db12b-66
0.416
MAR-TRE-be9ff7d2-65
0.411
MAR-TRE-4f781e27-74
0.403
MAR-TRE-799db12b-75
0.402
MAR-TRE-4f781e27-32
0.400
MAR-TRE-4f781e27-78
0.397
MAR-TRE-66ac689e-14
0.382
MAR-TRE-a9136c7b-46
0.373
MAR-TRE-c317dd82-24
0.366
MAR-TRE-8190bb11-57
0.359
MAR-TRE-8190bb11-74
0.358
MAR-TRE-e82e6c98-9
0.354
MAR-TRE-be9ff7d2-86
0.354
MAR-TRE-8190bb11-58
0.354
MAR-TRE-e82e6c98-91
0.349
MAR-TRE-8190bb11-95
0.349
MAR-TRE-a9136c7b-58
0.349
MAR-TRE-8190bb11-42
0.346
MAR-TRE-a9136c7b-33
0.346
MAR-TRE-e82e6c98-15
0.338
MAR-TRE-66ac689e-95
0.333
MAR-TRE-a9136c7b-12
0.333
MAR-TRE-799db12b-90
0.333
MAR-TRE-66ac689e-13
0.333
MAR-TRE-4f781e27-18
0.333
MAR-TRE-92684b97-46
0.333
MAR-TRE-799db12b-55
0.329
MAR-TRE-92684b97-83
0.329
MAR-TRE-799db12b-12
0.326
MAR-TRE-a9136c7b-52
0.326
MAR-TRE-e82e6c98-95
0.326
MAR-TRE-799db12b-79
0.325
MAR-TRE-c317dd82-63
0.325
MAR-TRE-e82e6c98-76
0.325
MAR-TRE-e82e6c98-39
0.325
MAR-TRE-a9136c7b-20
0.325
MAR-TRE-92684b97-26
0.325
MAR-TRE-66ac689e-63
0.321
MAR-TRE-799db12b-61
0.321
MAR-TRE-66ac689e-58
0.321
MAR-TRE-9d18ae8c-72
0.321
MAR-TRE-799db12b-44
0.318
MAR-TRE-799db12b-77
0.318
MAR-TRE-4f781e27-85
0.316
MAR-TRE-e82e6c98-18
0.314
MAR-TRE-4f781e27-14
0.313
MAR-TRE-a9136c7b-91
0.310
MAR-TRE-a9136c7b-98
0.310
MAR-TRE-92684b97-40
0.309
MAR-TRE-92684b97-41
0.309
MAR-TRE-9d18ae8c-85
0.309
MAR-TRE-8190bb11-85
0.308
MAR-TRE-66ac689e-74
0.307
MAR-TRE-92684b97-84
0.307
MAR-TRE-a9136c7b-92
0.305
MAR-TRE-92684b97-48
0.305
MAR-TRE-e82e6c98-89
0.305
MAR-TRE-c317dd82-82
0.305
MAR-TRE-be9ff7d2-3
0.305
MAR-TRE-8190bb11-1
0.305
MAR-TRE-92684b97-77
0.305
MAR-TRE-66ac689e-62
0.304
MAR-TRE-4f781e27-70
0.304
MAR-TRE-66ac689e-11
0.303
MAR-TRE-4f781e27-61
0.303
MAR-TRE-be9ff7d2-37
0.303
MAR-TRE-be9ff7d2-64
0.302
MAR-TRE-8190bb11-37
0.301
MAR-TRE-92684b97-11
0.301
MAR-TRE-a9136c7b-36
0.301
MAR-TRE-8190bb11-78
0.301
MAR-TRE-be9ff7d2-13
0.301
MAR-TRE-8190bb11-76
0.300
MAR-TRE-92684b97-82
0.299
MAR-TRE-92684b97-91
0.299
MAR-TRE-799db12b-31
0.299
MAR-TRE-4f781e27-56
0.299
MAR-TRE-c317dd82-48
0.299
MAR-TRE-4f781e27-22
0.298
MAR-TRE-66ac689e-12
0.298
MAR-TRE-c317dd82-35
0.298
MAR-TRE-e82e6c98-11
0.298
MAR-TRE-799db12b-10
0.298
MAR-TRE-66ac689e-79
0.298
MAR-TRE-66ac689e-80
0.298
MAR-TRE-9d18ae8c-40
0.298
MAR-TRE-a9136c7b-45
0.297
MAR-TRE-92684b97-32
0.297
MAR-TRE-8190bb11-18
0.297