Molecular Properties | |
SMILES: | O=C(O)Cc1ccccc1CS(=O)(=O)NC(=O)c1cncnc1 |
MW: | 335.06 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 126.32 |
cLogP: | 0.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-37
0.472
MAR-TRE-4f781e27-25
0.471
MAR-TRE-4f781e27-55
0.452
MAR-TRE-4f781e27-80
0.446
MAR-TRE-4f781e27-42
0.443
MAR-TRE-9d18ae8c-25
0.411
MAR-TRE-4f781e27-41
0.400
MAR-TRE-c317dd82-87
0.397
MAR-TRE-92684b97-24
0.392
MAR-TRE-a9136c7b-20
0.389
MAR-TRE-be9ff7d2-45
0.387
MAR-TRE-9d18ae8c-47
0.382
MAR-TRE-92684b97-21
0.380
MAR-TRE-92684b97-66
0.380
MAR-TRE-4f781e27-64
0.378
MAR-TRE-9d18ae8c-67
0.378
MAR-TRE-66ac689e-43
0.377
MAR-TRE-66ac689e-30
0.373
MAR-TRE-66ac689e-39
0.373
MAR-TRE-9d18ae8c-79
0.372
MAR-TRE-c317dd82-98
0.371
MAR-TRE-e82e6c98-63
0.371
MAR-TRE-92684b97-40
0.370
MAR-TRE-4f781e27-62
0.370
MAR-TRE-66ac689e-32
0.365
MAR-TRE-66ac689e-50
0.364
MAR-TRE-92684b97-78
0.362
MAR-TRE-be9ff7d2-88
0.361
MAR-TRE-8190bb11-37
0.360
MAR-TRE-66ac689e-44
0.359
MAR-TRE-799db12b-88
0.359
MAR-TRE-92684b97-65
0.359
MAR-TRE-8190bb11-21
0.358
MAR-TRE-66ac689e-11
0.358
MAR-TRE-a9136c7b-75
0.356
MAR-TRE-be9ff7d2-63
0.356
MAR-TRE-a9136c7b-84
0.355
MAR-TRE-8190bb11-63
0.354
MAR-TRE-a9136c7b-41
0.354
MAR-TRE-4f781e27-49
0.352
MAR-TRE-8190bb11-57
0.351
MAR-TRE-4f781e27-50
0.351
MAR-TRE-4f781e27-87
0.351
MAR-TRE-be9ff7d2-58
0.351
MAR-TRE-8190bb11-32
0.351
MAR-TRE-8190bb11-29
0.351
MAR-TRE-4f781e27-54
0.351
MAR-TRE-8190bb11-82
0.351
MAR-TRE-799db12b-38
0.351
MAR-TRE-92684b97-45
0.350
MAR-TRE-8190bb11-38
0.350
MAR-TRE-92684b97-9
0.347
MAR-TRE-92684b97-48
0.347
MAR-TRE-be9ff7d2-23
0.347
MAR-TRE-a9136c7b-43
0.347
MAR-TRE-8190bb11-53
0.347
MAR-TRE-4f781e27-17
0.347
MAR-TRE-c317dd82-36
0.346
MAR-TRE-92684b97-58
0.346
MAR-TRE-9d18ae8c-14
0.346
MAR-TRE-4f781e27-46
0.342
MAR-TRE-c317dd82-43
0.342
MAR-TRE-92684b97-13
0.342
MAR-TRE-be9ff7d2-13
0.342
MAR-TRE-799db12b-74
0.342
MAR-TRE-92684b97-90
0.342
MAR-TRE-9d18ae8c-35
0.342
MAR-TRE-a9136c7b-87
0.342
MAR-TRE-66ac689e-47
0.341
MAR-TRE-92684b97-43
0.341
MAR-TRE-9d18ae8c-61
0.338
MAR-TRE-4f781e27-72
0.338
MAR-TRE-8190bb11-44
0.338
MAR-TRE-92684b97-60
0.338
MAR-TRE-66ac689e-14
0.338
MAR-TRE-8190bb11-15
0.338
MAR-TRE-92684b97-69
0.338
MAR-TRE-c317dd82-100
0.338
MAR-TRE-92684b97-34
0.338
MAR-TRE-8190bb11-87
0.338
MAR-TRE-92684b97-29
0.338
MAR-TRE-9d18ae8c-70
0.338
MAR-TRE-8190bb11-24
0.333
MAR-TRE-92684b97-59
0.333
MAR-TRE-8190bb11-77
0.333
MAR-TRE-8190bb11-81
0.333
MAR-TRE-9d18ae8c-5
0.333
MAR-TRE-9d18ae8c-69
0.333
MAR-TRE-8190bb11-91
0.333
MAR-TRE-4f781e27-99
0.333
MAR-TRE-92684b97-15
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-8190bb11-47
0.333
MAR-TRE-a9136c7b-40
0.333
MAR-TRE-9d18ae8c-82
0.329
MAR-TRE-799db12b-64
0.329
MAR-TRE-799db12b-65
0.329
MAR-TRE-a9136c7b-68
0.329
MAR-TRE-66ac689e-24
0.329
MAR-TRE-9d18ae8c-50
0.329