Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1[nH]cc2c1CCS2(=O)=O)c1cncnc1 |
MW: | 342.01 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 138.95 |
cLogP: | -0.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-e82e6c98-63
0.397
MAR-TRE-a9136c7b-90
0.395
MAR-TRE-8190bb11-57
0.395
MAR-TRE-9d18ae8c-100
0.392
MAR-TRE-4f781e27-63
0.388
MAR-TRE-9d18ae8c-56
0.378
MAR-TRE-a9136c7b-40
0.377
MAR-TRE-8190bb11-12
0.375
MAR-TRE-e82e6c98-58
0.370
MAR-TRE-66ac689e-50
0.370
MAR-TRE-799db12b-53
0.370
MAR-TRE-4f781e27-3
0.369
MAR-TRE-92684b97-21
0.368
MAR-TRE-c317dd82-43
0.368
MAR-TRE-66ac689e-13
0.367
MAR-TRE-8190bb11-78
0.367
MAR-TRE-8190bb11-55
0.367
MAR-TRE-be9ff7d2-13
0.367
MAR-TRE-a9136c7b-60
0.366
MAR-TRE-be9ff7d2-4
0.365
MAR-TRE-92684b97-60
0.364
MAR-TRE-4f781e27-72
0.364
MAR-TRE-92684b97-24
0.362
MAR-TRE-c317dd82-100
0.362
MAR-TRE-66ac689e-78
0.361
MAR-TRE-9d18ae8c-75
0.361
MAR-TRE-9d18ae8c-79
0.361
MAR-TRE-4f781e27-30
0.361
MAR-TRE-a9136c7b-20
0.359
MAR-TRE-be9ff7d2-58
0.359
MAR-TRE-4f781e27-50
0.359
MAR-TRE-4f781e27-62
0.359
MAR-TRE-8190bb11-32
0.359
MAR-TRE-92684b97-40
0.359
MAR-TRE-4f781e27-66
0.357
MAR-TRE-92684b97-42
0.357
MAR-TRE-e82e6c98-90
0.357
MAR-TRE-be9ff7d2-23
0.354
MAR-TRE-e82e6c98-89
0.354
MAR-TRE-92684b97-48
0.354
MAR-TRE-4f781e27-17
0.354
MAR-TRE-a9136c7b-92
0.354
MAR-TRE-8190bb11-53
0.354
MAR-TRE-e82e6c98-45
0.354
MAR-TRE-92684b97-58
0.354
MAR-TRE-4f781e27-46
0.351
MAR-TRE-92684b97-13
0.350
MAR-TRE-a9136c7b-3
0.350
MAR-TRE-66ac689e-44
0.349
MAR-TRE-799db12b-88
0.349
MAR-TRE-799db12b-83
0.349
MAR-TRE-92684b97-23
0.349
MAR-TRE-c317dd82-84
0.349
MAR-TRE-be9ff7d2-31
0.346
MAR-TRE-be9ff7d2-63
0.346
MAR-TRE-a9136c7b-75
0.346
MAR-TRE-4f781e27-95
0.346
MAR-TRE-8190bb11-44
0.346
MAR-TRE-a9136c7b-39
0.346
MAR-TRE-799db12b-10
0.346
MAR-TRE-66ac689e-16
0.346
MAR-TRE-8190bb11-84
0.346
MAR-TRE-92684b97-34
0.346
MAR-TRE-92684b97-69
0.346
MAR-TRE-9d18ae8c-25
0.346
MAR-TRE-8190bb11-15
0.346
MAR-TRE-a9136c7b-84
0.346
MAR-TRE-9d18ae8c-70
0.345
MAR-TRE-8190bb11-66
0.345
MAR-TRE-4f781e27-52
0.345
MAR-TRE-92684b97-59
0.342
MAR-TRE-8190bb11-29
0.342
MAR-TRE-4f781e27-87
0.342
MAR-TRE-8190bb11-77
0.341
MAR-TRE-4f781e27-54
0.341
MAR-TRE-4f781e27-90
0.341
MAR-TRE-8190bb11-3
0.341
MAR-TRE-4f781e27-15
0.341
MAR-TRE-8190bb11-45
0.341
MAR-TRE-8190bb11-38
0.341
MAR-TRE-be9ff7d2-27
0.341
MAR-TRE-799db12b-22
0.341
MAR-TRE-8190bb11-60
0.338
MAR-TRE-4f781e27-42
0.338
MAR-TRE-92684b97-9
0.338
MAR-TRE-8190bb11-1
0.338
MAR-TRE-9d18ae8c-63
0.338
MAR-TRE-a9136c7b-43
0.338
MAR-TRE-a9136c7b-56
0.338
MAR-TRE-66ac689e-32
0.338
MAR-TRE-c317dd82-73
0.338
MAR-TRE-66ac689e-6
0.337
MAR-TRE-66ac689e-63
0.337
MAR-TRE-a9136c7b-68
0.337
MAR-TRE-4f781e27-89
0.337
MAR-TRE-92684b97-94
0.337
MAR-TRE-c317dd82-79
0.337
MAR-TRE-be9ff7d2-88
0.333
MAR-TRE-799db12b-77
0.333
MAR-TRE-92684b97-30
0.333