Molecular Properties | |
SMILES: | O=C1COc2ccc(-c3csc(NC(=O)c4cncnc4)n3)cc2N1 |
MW: | 353.06 |
Fraction sp3: | 0.06 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 106.1 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aminothiazole
MAR-TRE-a9136c7b-53
0.593
MAR-TRE-a9136c7b-19
0.473
MAR-TRE-a9136c7b-73
0.426
MAR-TRE-c317dd82-79
0.381
MAR-TRE-6a44bbf2-95
0.360
MAR-TRE-799db12b-59
0.354
MAR-TRE-8190bb11-31
0.343
WIL-UNI-d4749f31-3
0.327
MAR-TRE-a9136c7b-37
0.308
MAR-TRE-8190bb11-75
0.308
MAR-TRE-a9136c7b-82
0.300
MAR-TRE-9d18ae8c-2
0.299
MAT-POS-ea426761-11
0.298
MAR-TRE-66ac689e-8
0.296
MAR-TRE-4f781e27-92
0.296
MAR-TRE-be9ff7d2-34
0.289
MAR-TRE-8190bb11-65
0.287
MAR-TRE-9d18ae8c-15
0.287
MAR-TRE-9d18ae8c-46
0.287
MAR-TRE-9d18ae8c-29
0.286
MAR-TRE-e82e6c98-6
0.284
MAR-TRE-66ac689e-46
0.284
MAR-TRE-8190bb11-80
0.284
MAR-TRE-92684b97-81
0.283
MAR-TRE-92684b97-14
0.283
MAR-TRE-e82e6c98-27
0.283
MAR-TRE-8190bb11-83
0.282
MAR-TRE-8190bb11-88
0.280
MAR-TRE-c317dd82-90
0.280
MAR-TRE-799db12b-7
0.277
MAR-TRE-66ac689e-31
0.277
MAR-TRE-4f781e27-59
0.277
MAR-TRE-be9ff7d2-20
0.277
MAR-TRE-c317dd82-58
0.276
MAR-TRE-be9ff7d2-66
0.276
MAR-TRE-66ac689e-51
0.276
MAR-TRE-9d18ae8c-66
0.274
MAR-TRE-a9136c7b-30
0.274
MAR-TRE-4f781e27-53
0.274
MAR-TRE-66ac689e-2
0.273
MAR-TRE-799db12b-53
0.273
MAR-TRE-9d18ae8c-13
0.272
MAR-TRE-c317dd82-25
0.272
MAR-TRE-a9136c7b-71
0.272
MAR-TRE-799db12b-83
0.272
MAR-TRE-4f781e27-60
0.272
MAR-TRE-9d18ae8c-55
0.272
MAR-TRE-8190bb11-9
0.271
MAR-TRE-c317dd82-45
0.270
MAR-TRE-e82e6c98-91
0.270
MAR-TRE-a9136c7b-24
0.270
MAR-TRE-799db12b-88
0.270
MAR-TRE-799db12b-54
0.270
MAR-TRE-92684b97-55
0.270
MAR-TRE-66ac689e-1
0.269
MAR-TRE-e82e6c98-48
0.268
MAR-TRE-92684b97-22
0.268
MAR-TRE-799db12b-27
0.267
MAR-TRE-9d18ae8c-6
0.267
MAR-TRE-8190bb11-7
0.267
MAR-TRE-66ac689e-96
0.267
MAR-TRE-a9136c7b-88
0.267
MAR-TRE-c317dd82-96
0.266
MAR-TRE-8190bb11-69
0.265
MAR-TRE-4f781e27-31
0.265
MAR-TRE-c317dd82-37
0.265
MAR-TRE-a9136c7b-42
0.265
MAR-TRE-a9136c7b-62
0.265
MAR-TRE-66ac689e-40
0.265
MAR-TRE-4f781e27-88
0.265
MAR-TRE-92684b97-28
0.265
MAR-TRE-9d18ae8c-98
0.265
MAR-TRE-be9ff7d2-62
0.264
MAR-TRE-66ac689e-10
0.264
MAR-TRE-66ac689e-54
0.264
MAR-TRE-9d18ae8c-39
0.264
MAR-TRE-be9ff7d2-22
0.263
MAR-TRE-66ac689e-26
0.263
MAR-TRE-9d18ae8c-58
0.263
MAR-TRE-92684b97-94
0.262
MAR-TRE-66ac689e-24
0.262
MAR-TRE-e82e6c98-38
0.262
MAR-TRE-e82e6c98-40
0.262
MAR-TRE-a9136c7b-74
0.262
MAR-TRE-799db12b-24
0.262
MAR-TRE-799db12b-45
0.262
MAR-TRE-66ac689e-53
0.262
MAR-TRE-66ac689e-69
0.262
MAR-TRE-a9136c7b-11
0.261
MAR-TRE-e82e6c98-23
0.260
MAR-TRE-8190bb11-96
0.260
MAR-TRE-c317dd82-77
0.260
MAR-TRE-66ac689e-37
0.260
MAR-TRE-a9136c7b-57
0.260
MAR-TRE-8190bb11-19
0.260
MAR-TRE-a9136c7b-65
0.260
MAR-TRE-799db12b-34
0.260
MAR-TRE-8190bb11-17
0.260
MAR-TRE-8190bb11-93
0.260
MAR-TRE-a9136c7b-16
0.259