Molecular Properties | |
SMILES: | CC(=O)NCc1ccc(-c2csc(NC(=O)c3cncnc3)n2)s1 |
MW: | 359.05 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 96.87 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aminothiazole
MAR-TRE-a9136c7b-30
0.588
MAR-TRE-799db12b-38
0.427
MAR-TRE-a9136c7b-94
0.426
MAR-TRE-be9ff7d2-1
0.390
MAR-TRE-a9136c7b-54
0.365
MAR-TRE-a9136c7b-24
0.352
MAR-TRE-799db12b-20
0.345
MAR-TRE-8190bb11-31
0.344
MAR-TRE-e82e6c98-68
0.341
MAR-TRE-e82e6c98-27
0.341
MAR-TRE-4f781e27-60
0.337
MAR-TRE-a9136c7b-53
0.330
MAR-TRE-be9ff7d2-34
0.330
MAR-TRE-a9136c7b-82
0.326
MAR-TRE-a9136c7b-17
0.319
MAR-TRE-e82e6c98-11
0.318
MAR-TRE-799db12b-37
0.316
MAR-TRE-e82e6c98-23
0.314
MAR-TRE-9d18ae8c-83
0.312
MAR-TRE-799db12b-39
0.311
MAR-TRE-66ac689e-37
0.311
MAR-TRE-c317dd82-21
0.309
MAR-TRE-8190bb11-40
0.308
MAR-TRE-8190bb11-51
0.307
MAR-TRE-8190bb11-13
0.306
MAR-TRE-be9ff7d2-98
0.303
MAR-TRE-66ac689e-72
0.303
MAR-TRE-8190bb11-69
0.303
MAR-TRE-e82e6c98-80
0.302
MAR-TRE-4f781e27-12
0.302
MAR-TRE-92684b97-74
0.302
MAR-TRE-be9ff7d2-66
0.300
MAR-TRE-799db12b-63
0.300
MAR-TRE-9d18ae8c-74
0.300
MAR-TRE-66ac689e-88
0.299
MAR-TRE-799db12b-35
0.299
MAR-TRE-4f781e27-99
0.299
MAR-TRE-799db12b-33
0.298
MAR-TRE-799db12b-60
0.298
MAR-TRE-799db12b-24
0.298
MAR-TRE-8190bb11-24
0.298
MAR-TRE-8190bb11-85
0.298
MAR-TRE-e82e6c98-58
0.297
MAR-TRE-c317dd82-56
0.296
MAR-TRE-66ac689e-69
0.296
MAR-TRE-799db12b-43
0.295
MAR-TRE-8190bb11-80
0.295
MAR-TRE-9d18ae8c-55
0.295
MAR-TRE-e82e6c98-30
0.294
MAR-TRE-e82e6c98-15
0.294
MAR-TRE-e82e6c98-91
0.293
MAR-TRE-92684b97-81
0.293
MAR-TRE-9d18ae8c-53
0.293
MAR-TRE-e82e6c98-60
0.293
MAR-TRE-799db12b-44
0.293
MAR-TRE-92684b97-89
0.293
MAR-TRE-799db12b-84
0.292
MAR-TRE-799db12b-74
0.292
MAR-TRE-be9ff7d2-13
0.292
MAR-TRE-8190bb11-83
0.292
MAR-TRE-be9ff7d2-90
0.291
MAR-TRE-799db12b-27
0.290
MAR-TRE-799db12b-16
0.290
MAR-TRE-92684b97-78
0.289
MAR-TRE-66ac689e-12
0.289
MAR-TRE-66ac689e-30
0.289
MAR-TRE-9d18ae8c-48
0.289
MAR-TRE-4f781e27-28
0.289
MAR-TRE-9d18ae8c-11
0.289
MAR-TRE-be9ff7d2-20
0.287
MAR-TRE-e82e6c98-72
0.287
MAR-TRE-66ac689e-57
0.287
MAR-TRE-e82e6c98-95
0.287
MAR-TRE-799db12b-98
0.286
MAR-TRE-4f781e27-54
0.286
MAR-TRE-be9ff7d2-15
0.286
MAR-TRE-be9ff7d2-47
0.286
MAR-TRE-be9ff7d2-68
0.286
MAR-TRE-a9136c7b-28
0.286
MAR-TRE-92684b97-54
0.286
MAR-TRE-e82e6c98-38
0.284
MAR-TRE-8190bb11-34
0.284
MAR-TRE-9d18ae8c-54
0.284
MAR-TRE-799db12b-3
0.284
MAR-TRE-4f781e27-34
0.284
MAR-TRE-799db12b-2
0.284
MAR-TRE-799db12b-59
0.284
MAR-TRE-92684b97-64
0.284
MAR-TRE-9d18ae8c-17
0.284
MAR-TRE-9d18ae8c-18
0.284
MAR-TRE-c317dd82-63
0.284
MAR-TRE-8190bb11-65
0.284
MAR-TRE-799db12b-41
0.284
MAR-TRE-9d18ae8c-15
0.284
MAR-TRE-92684b97-26
0.284
MAR-TRE-9d18ae8c-64
0.284
MAR-TRE-a9136c7b-10
0.283
MAR-TRE-66ac689e-53
0.283
MAR-TRE-4f781e27-1
0.283
MAR-TRE-9d18ae8c-10
0.283