Molecular Properties | |
SMILES: | Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1cncnc1 |
MW: | 304.1 |
Fraction sp3: | 0.36 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.84 |
cLogP: | 1.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketone
MAR-TRE-e82e6c98-75
0.419
MAR-TRE-e82e6c98-29
0.408
MAR-TRE-e82e6c98-77
0.403
MAR-TRE-e82e6c98-68
0.389
MAR-TRE-799db12b-84
0.382
MAR-TRE-4f781e27-49
0.375
MAR-TRE-be9ff7d2-1
0.368
MAR-TRE-4f781e27-96
0.367
MAR-TRE-92684b97-74
0.360
MAR-TRE-be9ff7d2-49
0.360
MAR-TRE-9d18ae8c-48
0.359
MAR-TRE-c317dd82-63
0.355
MAR-TRE-e82e6c98-12
0.354
MAR-TRE-a9136c7b-28
0.354
MAR-TRE-66ac689e-59
0.351
MAR-TRE-4f781e27-19
0.351
MAR-TRE-92684b97-87
0.347
MAR-TRE-e82e6c98-54
0.347
MAR-TRE-4f781e27-43
0.346
MAR-TRE-be9ff7d2-43
0.346
MAR-TRE-66ac689e-57
0.342
MAR-TRE-be9ff7d2-11
0.342
MAR-TRE-c317dd82-35
0.342
MAR-TRE-a9136c7b-54
0.342
MAR-TRE-8190bb11-73
0.341
MAR-TRE-e82e6c98-76
0.338
MAR-TRE-66ac689e-98
0.338
MAR-TRE-c317dd82-12
0.337
MAR-TRE-9d18ae8c-59
0.333
MAR-TRE-a9136c7b-51
0.333
MAR-TRE-a9136c7b-100
0.333
MAR-TRE-a9136c7b-30
0.330
MAR-TRE-92684b97-46
0.329
MAR-TRE-92684b97-89
0.329
MAR-TRE-a9136c7b-24
0.329
MAR-TRE-92684b97-71
0.329
MAR-TRE-8190bb11-13
0.329
MAR-TRE-92684b97-56
0.329
MAR-TRE-c317dd82-48
0.329
MAR-TRE-be9ff7d2-7
0.326
MAR-TRE-e82e6c98-11
0.325
MAR-TRE-e82e6c98-16
0.325
MAR-TRE-799db12b-46
0.325
MAR-TRE-e82e6c98-26
0.325
MAR-TRE-8190bb11-31
0.322
MAR-TRE-92684b97-93
0.322
MAR-TRE-a9136c7b-76
0.322
MAR-TRE-66ac689e-34
0.321
MAR-TRE-a9136c7b-59
0.321
MAR-TRE-e82e6c98-87
0.321
MAR-TRE-4f781e27-81
0.321
MAR-TRE-c317dd82-71
0.321
MAR-TRE-be9ff7d2-92
0.321
MAR-TRE-9d18ae8c-74
0.321
MAR-TRE-be9ff7d2-40
0.321
MAR-TRE-be9ff7d2-34
0.321
MAR-TRE-799db12b-38
0.321
MAR-TRE-e82e6c98-23
0.321
MAR-TRE-8190bb11-24
0.320
MAR-TRE-8190bb11-85
0.320
MAR-TRE-be9ff7d2-67
0.319
MAR-TRE-be9ff7d2-82
0.318
MAR-TRE-8190bb11-72
0.316
MAR-TRE-8190bb11-97
0.316
MAR-TRE-66ac689e-18
0.316
MAR-TRE-c317dd82-21
0.315
MAR-TRE-4f781e27-83
0.314
MAR-TRE-a9136c7b-78
0.314
MAR-TRE-92684b97-11
0.312
MAR-TRE-799db12b-47
0.312
MAR-TRE-e82e6c98-47
0.312
MAR-TRE-c317dd82-96
0.312
MAR-TRE-92684b97-78
0.311
MAR-TRE-be9ff7d2-12
0.310
MAR-TRE-e82e6c98-14
0.310
MAR-TRE-799db12b-16
0.310
MAR-TRE-92684b97-86
0.309
MAR-TRE-4f781e27-22
0.309
MAR-TRE-4f781e27-28
0.309
MAR-TRE-9d18ae8c-97
0.309
MAR-TRE-799db12b-94
0.309
MAR-TRE-c317dd82-31
0.309
MAR-TRE-e82e6c98-72
0.308
MAR-TRE-8190bb11-42
0.308
MAR-TRE-4f781e27-72
0.308
MAR-TRE-be9ff7d2-5
0.308
MAR-TRE-be9ff7d2-47
0.307
MAR-TRE-92684b97-96
0.306
MAR-TRE-799db12b-87
0.306
MAR-TRE-be9ff7d2-29
0.306
MAR-TRE-c317dd82-37
0.306
MAR-TRE-e82e6c98-5
0.306
MAR-TRE-92684b97-85
0.305
MAR-TRE-4f781e27-16
0.305
MAR-TRE-be9ff7d2-6
0.305
MAR-TRE-be9ff7d2-68
0.305
MAR-TRE-8190bb11-47
0.304
MAR-TRE-4f781e27-84
0.304
MAR-TRE-9d18ae8c-89
0.304
MAR-TRE-4f781e27-50
0.304