Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1coc2c(F)cccc12 |
MW: | 285.09 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 68.02 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-98
0.586
MAR-TRE-66ac689e-36
0.400
MAR-TRE-92684b97-8
0.398
MAR-TRE-92684b97-5
0.388
MAR-TRE-9d18ae8c-62
0.383
MAR-TRE-66ac689e-72
0.383
MAR-TRE-799db12b-45
0.382
MAR-TRE-8190bb11-5
0.377
MAR-TRE-799db12b-73
0.373
MAR-TRE-66ac689e-22
0.373
MAR-TRE-66ac689e-27
0.373
MAR-TRE-a9136c7b-36
0.370
MAR-TRE-66ac689e-66
0.369
MAR-TRE-799db12b-31
0.365
MAR-TRE-66ac689e-45
0.360
MAR-TRE-4f781e27-27
0.360
MAR-TRE-66ac689e-3
0.358
MAR-TRE-799db12b-100
0.357
MAR-TRE-e82e6c98-88
0.356
MAR-TRE-799db12b-82
0.356
MAR-TRE-799db12b-36
0.356
MAR-TRE-799db12b-49
0.352
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-92684b97-100
0.349
MAR-TRE-9d18ae8c-9
0.348
MAR-TRE-a9136c7b-8
0.348
MAR-TRE-799db12b-95
0.346
MAR-TRE-8190bb11-91
0.346
MAR-TRE-9d18ae8c-64
0.346
MAR-TRE-be9ff7d2-68
0.345
MAR-TRE-799db12b-32
0.345
MAR-TRE-799db12b-23
0.341
MAR-TRE-92684b97-77
0.341
MAR-TRE-9d18ae8c-8
0.341
MAR-TRE-a9136c7b-82
0.341
MAR-TRE-92684b97-36
0.341
MAR-TRE-9d18ae8c-17
0.341
MAR-TRE-a9136c7b-19
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-799db12b-91
0.338
MAR-TRE-92684b97-27
0.338
MAR-TRE-4f781e27-40
0.337
MAR-TRE-8190bb11-25
0.337
MAR-TRE-a9136c7b-58
0.337
MAR-TRE-a9136c7b-22
0.337
MAR-TRE-799db12b-55
0.333
MAR-TRE-a9136c7b-33
0.333
MAR-TRE-a9136c7b-67
0.333
MAR-TRE-66ac689e-42
0.333
MAR-TRE-92684b97-35
0.333
MAR-TRE-92684b97-68
0.333
MAR-TRE-9d18ae8c-97
0.333
MAR-TRE-a9136c7b-13
0.330
MAR-TRE-66ac689e-52
0.330
MAR-TRE-92684b97-32
0.330
MAR-TRE-a9136c7b-46
0.330
MAR-TRE-9d18ae8c-94
0.330
MAR-TRE-4f781e27-59
0.330
MAR-TRE-92684b97-15
0.329
MAR-TRE-4f781e27-54
0.329
MAR-TRE-799db12b-79
0.329
MAR-TRE-66ac689e-100
0.329
MAR-TRE-8190bb11-10
0.329
MAR-TRE-4f781e27-45
0.329
MAR-TRE-66ac689e-68
0.329
MAR-TRE-92684b97-41
0.329
MAR-TRE-92684b97-51
0.329
MAR-TRE-9d18ae8c-87
0.329
MAR-TRE-92684b97-97
0.326
MAR-TRE-92684b97-18
0.326
MAR-TRE-92684b97-84
0.326
MAR-TRE-4f781e27-38
0.326
MAR-TRE-9d18ae8c-99
0.326
MAR-TRE-be9ff7d2-86
0.326
MAR-TRE-799db12b-61
0.325
MAR-TRE-e82e6c98-20
0.325
MAR-TRE-be9ff7d2-3
0.325
MAR-TRE-8190bb11-72
0.325
MAR-TRE-4f781e27-29
0.325
MAR-TRE-799db12b-96
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-66ac689e-58
0.325
MAR-TRE-66ac689e-62
0.325
MAR-TRE-4f781e27-70
0.325
MAR-TRE-92684b97-63
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-9d18ae8c-3
0.323
MAR-TRE-9d18ae8c-22
0.322
MAR-TRE-a9136c7b-35
0.322
MAR-TRE-9d18ae8c-41
0.322
MAR-TRE-be9ff7d2-97
0.322
MAR-TRE-c317dd82-24
0.322
MAR-TRE-be9ff7d2-64
0.322
MAR-TRE-66ac689e-82
0.322
MAR-TRE-66ac689e-94
0.322
MAR-TRE-4f781e27-51
0.322
MAR-TRE-8190bb11-36
0.321
MAR-TRE-4f781e27-86
0.321
MAR-TRE-66ac689e-95
0.321
MAR-TRE-9d18ae8c-67
0.321