Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)C1CS(=O)(=O)c2ccccc21)c1cncnc1 |
MW: | 353.01 |
Fraction sp3: | 0.15 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 123.16 |
cLogP: | 0.06 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-45
0.494
MAR-TRE-4f781e27-54
0.405
MAR-TRE-66ac689e-67
0.402
MAR-TRE-be9ff7d2-88
0.400
MAR-TRE-92684b97-21
0.382
MAR-TRE-be9ff7d2-72
0.380
MAR-TRE-9d18ae8c-73
0.372
MAR-TRE-a9136c7b-87
0.361
MAR-TRE-66ac689e-17
0.361
MAR-TRE-66ac689e-43
0.361
MAR-TRE-9d18ae8c-25
0.358
MAR-TRE-8190bb11-63
0.357
MAR-TRE-9d18ae8c-70
0.357
MAR-TRE-c317dd82-98
0.355
MAR-TRE-a9136c7b-20
0.354
MAR-TRE-9d18ae8c-100
0.354
MAR-TRE-a9136c7b-43
0.350
MAR-TRE-66ac689e-50
0.349
MAR-TRE-92684b97-44
0.349
MAR-TRE-4f781e27-79
0.349
MAR-TRE-4f781e27-41
0.346
MAR-TRE-8190bb11-37
0.346
MAR-TRE-66ac689e-13
0.346
MAR-TRE-799db12b-88
0.345
MAR-TRE-4f781e27-55
0.345
MAR-TRE-92684b97-65
0.345
MAR-TRE-9d18ae8c-44
0.345
MAR-TRE-be9ff7d2-63
0.342
MAR-TRE-4f781e27-95
0.342
MAR-TRE-66ac689e-39
0.341
MAR-TRE-8190bb11-15
0.341
MAR-TRE-92684b97-24
0.341
MAR-TRE-a9136c7b-41
0.341
MAR-TRE-a9136c7b-90
0.341
MAR-TRE-8190bb11-57
0.338
MAR-TRE-66ac689e-32
0.333
MAR-TRE-92684b97-9
0.333
MAR-TRE-a9136c7b-68
0.333
MAR-TRE-8190bb11-1
0.333
MAR-TRE-4f781e27-63
0.333
MAR-TRE-4f781e27-89
0.333
MAR-TRE-92684b97-94
0.333
MAR-TRE-8190bb11-19
0.330
MAR-TRE-4f781e27-61
0.330
MAR-TRE-92684b97-43
0.330
MAR-TRE-9d18ae8c-36
0.330
MAR-TRE-92684b97-90
0.329
MAR-TRE-8190bb11-55
0.329
MAR-TRE-be9ff7d2-13
0.329
MAR-TRE-a9136c7b-3
0.329
MAR-TRE-a9136c7b-99
0.326
MAR-TRE-4f781e27-30
0.326
MAR-TRE-a9136c7b-61
0.326
MAR-TRE-8190bb11-30
0.326
MAR-TRE-8190bb11-87
0.326
MAR-TRE-c317dd82-100
0.325
MAR-TRE-a9136c7b-84
0.325
MAR-TRE-799db12b-10
0.325
MAR-TRE-92684b97-69
0.325
MAR-TRE-92684b97-34
0.325
MAR-TRE-8190bb11-44
0.325
MAR-TRE-4f781e27-72
0.325
MAR-TRE-92684b97-60
0.325
MAR-TRE-92684b97-37
0.322
MAR-TRE-92684b97-42
0.322
MAR-TRE-799db12b-22
0.322
MAR-TRE-4f781e27-15
0.321
MAR-TRE-799db12b-38
0.321
MAR-TRE-8190bb11-12
0.321
MAR-TRE-8190bb11-77
0.321
MAR-TRE-4f781e27-90
0.321
MAR-TRE-92684b97-40
0.321
MAR-TRE-a9136c7b-40
0.321
MAR-TRE-be9ff7d2-58
0.321
MAR-TRE-8190bb11-29
0.321
MAR-TRE-8190bb11-96
0.321
MAR-TRE-4f781e27-62
0.321
MAR-TRE-4f781e27-87
0.321
MAR-TRE-92684b97-59
0.321
MAR-TRE-8190bb11-32
0.321
MAR-TRE-e82e6c98-63
0.321
MAR-TRE-799db12b-65
0.319
MAR-TRE-66ac689e-63
0.318
MAR-TRE-9d18ae8c-47
0.318
MAR-TRE-66ac689e-6
0.318
MAR-TRE-e82e6c98-58
0.318
MAR-TRE-799db12b-53
0.318
MAR-TRE-4f781e27-100
0.318
MAR-TRE-92684b97-58
0.318
MAR-TRE-e82e6c98-89
0.317
MAR-TRE-c317dd82-73
0.317
MAR-TRE-be9ff7d2-23
0.317
MAR-TRE-8190bb11-53
0.317
MAR-TRE-8190bb11-60
0.317
MAR-TRE-4f781e27-17
0.317
MAR-TRE-4f781e27-42
0.317
MAR-TRE-92684b97-48
0.317
MAR-TRE-92684b97-23
0.315
MAR-TRE-799db12b-81
0.315
MAR-TRE-66ac689e-47
0.315