Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1nc(-c2cccnc2)cs1 |
MW: | 311.08 |
Fraction sp3: | 0.13 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 80.66 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-29
0.410
MAR-TRE-9d18ae8c-57
0.390
MAR-TRE-8190bb11-98
0.388
MAR-TRE-a9136c7b-77
0.381
MAR-TRE-8190bb11-5
0.377
MAR-TRE-66ac689e-45
0.376
MAR-TRE-799db12b-100
0.373
MAR-TRE-9d18ae8c-37
0.373
MAR-TRE-92684b97-81
0.369
MAR-TRE-4f781e27-20
0.368
MAR-TRE-66ac689e-72
0.366
MAR-TRE-a9136c7b-93
0.365
MAR-TRE-92684b97-100
0.365
MAR-TRE-c317dd82-71
0.360
MAR-TRE-66ac689e-3
0.358
MAR-TRE-799db12b-73
0.357
MAR-TRE-66ac689e-22
0.357
MAR-TRE-66ac689e-27
0.357
MAR-TRE-92684b97-36
0.356
MAR-TRE-a9136c7b-47
0.352
MAR-TRE-be9ff7d2-47
0.351
MAR-TRE-4f781e27-68
0.349
MAR-TRE-799db12b-99
0.348
MAR-TRE-a9136c7b-8
0.348
MAR-TRE-799db12b-32
0.345
MAR-TRE-be9ff7d2-6
0.345
MAR-TRE-4f781e27-59
0.345
MAR-TRE-8190bb11-31
0.344
MAR-TRE-92684b97-77
0.341
MAR-TRE-799db12b-82
0.341
MAR-TRE-66ac689e-77
0.341
MAR-TRE-799db12b-36
0.341
MAR-TRE-c317dd82-48
0.338
MAR-TRE-92684b97-50
0.338
MAR-TRE-4f781e27-86
0.337
MAR-TRE-66ac689e-66
0.337
MAR-TRE-9d18ae8c-9
0.333
MAR-TRE-c317dd82-42
0.333
MAR-TRE-799db12b-31
0.333
MAR-TRE-a9136c7b-13
0.330
MAR-TRE-4f781e27-45
0.329
MAR-TRE-9d18ae8c-85
0.329
MAR-TRE-a9136c7b-19
0.326
MAR-TRE-a9136c7b-73
0.326
MAR-TRE-4f781e27-44
0.326
MAR-TRE-8190bb11-97
0.325
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-9d18ae8c-59
0.325
MAR-TRE-799db12b-45
0.323
MAR-TRE-92684b97-12
0.323
MAR-TRE-799db12b-19
0.323
MAR-TRE-799db12b-49
0.323
MAR-TRE-4f781e27-93
0.322
MAR-TRE-9d18ae8c-41
0.322
MAR-TRE-4f781e27-51
0.322
MAR-TRE-9d18ae8c-67
0.321
MAR-TRE-be9ff7d2-16
0.321
MAR-TRE-92684b97-68
0.319
MAR-TRE-4f781e27-56
0.318
MAR-TRE-9d18ae8c-80
0.318
MAR-TRE-66ac689e-42
0.318
MAR-TRE-4f781e27-14
0.318
MAR-TRE-92684b97-86
0.318
MAR-TRE-66ac689e-93
0.318
MAR-TRE-92684b97-35
0.317
MAR-TRE-66ac689e-57
0.317
MAR-TRE-8190bb11-28
0.317
MAR-TRE-8190bb11-48
0.317
MAR-TRE-4f781e27-39
0.317
MAR-TRE-92684b97-93
0.315
MAR-TRE-4f781e27-71
0.315
MAR-TRE-9d18ae8c-60
0.315
MAR-TRE-be9ff7d2-68
0.314
MAR-TRE-be9ff7d2-84
0.314
MAR-TRE-8190bb11-56
0.314
MAR-TRE-92684b97-15
0.314
MAR-TRE-92684b97-85
0.314
MAR-TRE-92684b97-99
0.313
MAR-TRE-9d18ae8c-21
0.313
MAR-TRE-9d18ae8c-64
0.313
MAR-TRE-8190bb11-11
0.313
MAR-TRE-e82e6c98-70
0.312
MAR-TRE-799db12b-95
0.312
MAR-TRE-8190bb11-91
0.312
MAR-TRE-8190bb11-35
0.312
MAR-TRE-be9ff7d2-21
0.311
MAR-TRE-e82e6c98-88
0.311
MAR-TRE-4f781e27-38
0.311
MAR-TRE-92684b97-84
0.311
MAR-TRE-9d18ae8c-17
0.311
MAR-TRE-8190bb11-70
0.311
MAR-TRE-9d18ae8c-8
0.310
MAR-TRE-be9ff7d2-1
0.310
MAR-TRE-e82e6c98-20
0.310
MAR-TRE-66ac689e-18
0.310
MAR-TRE-8190bb11-72
0.310
MAR-TRE-4f781e27-91
0.310
MAR-TRE-66ac689e-41
0.310
MAR-TRE-66ac689e-58
0.309
MAR-TRE-c317dd82-21
0.308