Molecular Properties | |
SMILES: | CNC(=O)c1ccc(CS(=O)(=O)NC(=O)c2cncnc2)cc1 |
MW: | 334.07 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 118.12 |
cLogP: | 0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-55
0.536
MAR-TRE-4f781e27-37
0.514
MAR-TRE-4f781e27-80
0.507
MAR-TRE-4f781e27-99
0.471
MAR-TRE-9d18ae8c-73
0.471
MAR-TRE-4f781e27-41
0.400
MAR-TRE-c317dd82-87
0.397
MAR-TRE-92684b97-69
0.392
MAR-TRE-8190bb11-24
0.391
MAR-TRE-92684b97-40
0.389
MAR-TRE-4f781e27-64
0.378
VIJ-CYC-1a381570-3
0.375
MAR-TRE-8190bb11-84
0.373
MAR-TRE-799db12b-10
0.373
MAR-TRE-8190bb11-13
0.361
MAR-TRE-92684b97-11
0.360
MAR-TRE-92684b97-13
0.360
MAR-TRE-be9ff7d2-13
0.360
MAR-TRE-92684b97-24
0.355
MAR-TRE-a9136c7b-84
0.355
MAR-TRE-9d18ae8c-25
0.355
MAR-TRE-8190bb11-87
0.354
MAR-TRE-c317dd82-98
0.352
MAR-TRE-8190bb11-85
0.352
MAR-TRE-4f781e27-87
0.351
MAR-TRE-4f781e27-50
0.351
MAR-TRE-92684b97-26
0.351
MAR-TRE-92684b97-59
0.351
MAR-TRE-799db12b-35
0.351
MAR-TRE-8190bb11-57
0.351
MAR-TRE-4f781e27-62
0.351
MAR-TRE-9d18ae8c-87
0.351
MAR-TRE-799db12b-38
0.351
MAR-TRE-92684b97-48
0.347
MAR-TRE-4f781e27-42
0.347
MAR-TRE-c317dd82-73
0.347
MAR-TRE-8190bb11-53
0.347
MAR-TRE-66ac689e-32
0.347
MAR-TRE-9d18ae8c-63
0.347
MAR-TRE-92684b97-9
0.347
MAR-TRE-4f781e27-17
0.347
MAR-TRE-66ac689e-50
0.346
MAR-TRE-66ac689e-6
0.346
MAR-TRE-66ac689e-63
0.346
MAR-TRE-9d18ae8c-47
0.346
MAR-TRE-be9ff7d2-88
0.342
MAR-TRE-92684b97-21
0.342
MAR-TRE-66ac689e-13
0.342
MAR-TRE-c317dd82-28
0.342
MAR-TRE-66ac689e-15
0.342
MAR-TRE-8190bb11-78
0.342
MAR-TRE-8190bb11-55
0.342
MAR-TRE-66ac689e-43
0.342
MAR-TRE-92684b97-43
0.341
MAR-TRE-799db12b-6
0.341
MAR-TRE-a9136c7b-39
0.338
MAR-TRE-66ac689e-14
0.338
MAR-TRE-4f781e27-72
0.338
MAR-TRE-4f781e27-95
0.338
MAR-TRE-92684b97-60
0.338
MAR-TRE-be9ff7d2-31
0.338
MAR-TRE-be9ff7d2-63
0.338
MAR-TRE-8190bb11-44
0.338
MAR-TRE-66ac689e-39
0.338
MAR-TRE-66ac689e-12
0.338
MAR-TRE-66ac689e-16
0.338
MAR-TRE-92684b97-29
0.338
MAR-TRE-a9136c7b-61
0.338
MAR-TRE-92684b97-33
0.337
MAR-TRE-9d18ae8c-1
0.337
MAR-TRE-be9ff7d2-45
0.333
MAR-TRE-8190bb11-47
0.333
MAR-TRE-e82e6c98-63
0.333
MAR-TRE-8190bb11-11
0.333
MAR-TRE-8190bb11-32
0.333
MAR-TRE-be9ff7d2-58
0.333
MAR-TRE-a9136c7b-20
0.333
MAR-TRE-8190bb11-38
0.333
MAR-TRE-8190bb11-49
0.333
MAR-TRE-8190bb11-77
0.333
MAR-TRE-4f781e27-15
0.333
MAR-TRE-4f781e27-54
0.333
MAR-TRE-66ac689e-87
0.329
MAR-TRE-8190bb11-94
0.329
MAR-TRE-92684b97-94
0.329
MAR-TRE-e82e6c98-58
0.329
MAR-TRE-799db12b-5
0.329
MAR-TRE-4f781e27-63
0.329
MAR-TRE-92684b97-58
0.329
MAR-TRE-e82e6c98-45
0.329
MAR-TRE-e82e6c98-89
0.329
MAR-TRE-a9136c7b-43
0.329
MAR-TRE-a9136c7b-56
0.329
MAR-TRE-8190bb11-1
0.329
MAR-TRE-a9136c7b-92
0.329
MAR-TRE-8190bb11-50
0.329
MAR-TRE-8190bb11-60
0.329
MAR-TRE-8190bb11-97
0.329
MAR-TRE-be9ff7d2-23
0.329
MAR-TRE-be9ff7d2-94
0.329