Molecular Properties | |
SMILES: | COC(=O)C(C)(NC(=O)c1cncnc1)c1ccc(F)cc1 |
MW: | 303.1 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.18 |
cLogP: | 1.43 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
MAR-TRE-799db12b-41
0.737
MAR-TRE-a9136c7b-81
0.619
MAR-TRE-be9ff7d2-28
0.567
MAR-TRE-66ac689e-70
0.556
MAR-TRE-799db12b-66
0.545
MAR-TRE-66ac689e-23
0.531
MAR-TRE-66ac689e-75
0.508
MAR-TRE-4f781e27-78
0.508
MAR-TRE-8190bb11-36
0.485
MAR-TRE-66ac689e-14
0.485
MAR-TRE-c317dd82-76
0.478
MAR-TRE-8190bb11-22
0.478
MAR-TRE-be9ff7d2-65
0.433
MAR-TRE-8190bb11-74
0.431
MAR-TRE-e82e6c98-9
0.429
MAR-TRE-8190bb11-92
0.425
MAR-TRE-4f781e27-74
0.423
MAR-TRE-799db12b-75
0.421
MAR-TRE-4f781e27-32
0.420
MAR-TRE-8190bb11-62
0.420
MAR-TRE-66ac689e-95
0.384
MAR-TRE-8190bb11-85
0.377
MAR-TRE-92684b97-26
0.375
MAR-TRE-9d18ae8c-85
0.375
MAR-TRE-66ac689e-58
0.371
MAR-TRE-8190bb11-58
0.368
MAR-TRE-799db12b-90
0.362
MAR-TRE-92684b97-83
0.360
MAR-TRE-9d18ae8c-40
0.360
MAR-TRE-9d18ae8c-7
0.358
MAR-TRE-66ac689e-100
0.355
MAR-TRE-e82e6c98-15
0.352
MAR-TRE-66ac689e-62
0.352
MAR-TRE-be9ff7d2-86
0.351
MAR-TRE-4f781e27-85
0.347
MAR-TRE-92684b97-11
0.347
MAR-TRE-66ac689e-94
0.346
MAR-TRE-e82e6c98-11
0.342
MAR-TRE-e82e6c98-39
0.338
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-8190bb11-57
0.338
MAR-TRE-92684b97-41
0.338
MAR-TRE-9d18ae8c-21
0.338
MAR-TRE-a9136c7b-46
0.338
MAR-TRE-66ac689e-85
0.333
MAR-TRE-c317dd82-82
0.333
MAR-TRE-92684b97-75
0.333
MAR-TRE-a9136c7b-12
0.329
MAR-TRE-be9ff7d2-97
0.329
MAR-TRE-e82e6c98-91
0.329
MAR-TRE-799db12b-44
0.329
MAR-TRE-8190bb11-95
0.329
MAR-TRE-c317dd82-90
0.325
MAR-TRE-66ac689e-12
0.325
MAR-TRE-66ac689e-42
0.325
MAR-TRE-8190bb11-42
0.324
MAR-TRE-799db12b-12
0.322
MAR-TRE-a9136c7b-45
0.321
MAR-TRE-e82e6c98-95
0.321
MAR-TRE-8190bb11-38
0.321
MAR-TRE-799db12b-79
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-a9136c7b-98
0.321
MAR-TRE-8190bb11-49
0.321
MAR-TRE-92684b97-15
0.321
MAR-TRE-92684b97-54
0.321
MAR-TRE-8190bb11-29
0.320
MAR-TRE-92684b97-40
0.320
MAR-TRE-a9136c7b-20
0.320
MAR-TRE-c317dd82-63
0.320
MAR-TRE-8190bb11-24
0.319
MAR-TRE-c317dd82-14
0.317
MAR-TRE-92684b97-84
0.317
MAR-TRE-4f781e27-79
0.317
MAR-TRE-9d18ae8c-99
0.316
MAR-TRE-66ac689e-73
0.316
MAR-TRE-8190bb11-1
0.316
MAR-TRE-92684b97-48
0.316
MAR-TRE-92684b97-77
0.316
MAR-TRE-e82e6c98-89
0.316
MAR-TRE-be9ff7d2-3
0.316
MAR-TRE-92684b97-63
0.315
MAR-TRE-9d18ae8c-72
0.315
MAR-TRE-a9136c7b-58
0.313
MAR-TRE-4f781e27-18
0.313
MAR-TRE-92684b97-46
0.313
MAR-TRE-c317dd82-6
0.312
MAR-TRE-c317dd82-24
0.312
MAR-TRE-799db12b-77
0.312
MAR-TRE-799db12b-70
0.312
MAR-TRE-be9ff7d2-64
0.312
MAR-TRE-c317dd82-55
0.312
MAR-TRE-66ac689e-13
0.312
MAR-TRE-8190bb11-78
0.312
MAR-TRE-92684b97-71
0.312
MAR-TRE-be9ff7d2-13
0.312
MAR-TRE-8190bb11-13
0.311
MAR-TRE-c317dd82-48
0.310
MAR-TRE-799db12b-31
0.309
MAR-TRE-4f781e27-56
0.309