Molecular Properties | |
SMILES: | CNCc1cccc(CS(=O)(=O)NC(=O)c2cncnc2)c1 |
MW: | 320.09 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 101.05 |
cLogP: | 0.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-80
0.687
MAR-TRE-4f781e27-37
0.623
MAR-TRE-4f781e27-25
0.536
MAR-TRE-9d18ae8c-73
0.452
MAR-TRE-66ac689e-73
0.442
MAR-TRE-92684b97-82
0.430
MAR-TRE-799db12b-44
0.418
MAR-TRE-4f781e27-99
0.413
MAR-TRE-9d18ae8c-47
0.405
MAR-TRE-92684b97-69
0.397
MAR-TRE-799db12b-27
0.395
MAR-TRE-92684b97-40
0.395
MAR-TRE-4f781e27-54
0.392
MAR-TRE-92684b97-9
0.390
MAR-TRE-66ac689e-37
0.388
MAR-TRE-8190bb11-4
0.386
MAR-TRE-8190bb11-34
0.386
MAR-TRE-92684b97-13
0.385
MAR-TRE-9d18ae8c-53
0.383
MAR-TRE-9d18ae8c-36
0.381
MAR-TRE-9d18ae8c-25
0.380
MAR-TRE-8190bb11-15
0.380
MAR-TRE-8190bb11-84
0.380
MAR-TRE-92684b97-34
0.380
MAR-TRE-799db12b-10
0.380
MAR-TRE-8190bb11-24
0.378
MAR-TRE-8190bb11-87
0.378
MAR-TRE-799db12b-16
0.378
MAR-TRE-8190bb11-57
0.377
MAR-TRE-92684b97-33
0.376
MAR-TRE-8190bb11-77
0.375
MAR-TRE-4f781e27-17
0.372
MAR-TRE-92684b97-48
0.372
MAR-TRE-9d18ae8c-54
0.369
MAR-TRE-799db12b-3
0.369
MAR-TRE-799db12b-24
0.369
MAR-TRE-799db12b-33
0.369
MAR-TRE-4f781e27-41
0.368
MAR-TRE-92684b97-21
0.368
MAR-TRE-8190bb11-78
0.367
MAR-TRE-c317dd82-87
0.367
MAR-TRE-92684b97-11
0.367
MAR-TRE-799db12b-88
0.366
MAR-TRE-92684b97-81
0.366
MAR-TRE-66ac689e-33
0.365
MAR-TRE-8190bb11-19
0.365
MAR-TRE-8190bb11-80
0.365
MAR-TRE-9d18ae8c-30
0.365
MAR-TRE-4f781e27-72
0.364
MAR-TRE-9d18ae8c-49
0.364
MAR-TRE-66ac689e-12
0.362
MAR-TRE-66ac689e-16
0.362
MAR-TRE-be9ff7d2-17
0.362
MAR-TRE-a9136c7b-84
0.362
MAR-TRE-9d18ae8c-6
0.361
MAR-TRE-66ac689e-1
0.360
MAR-TRE-e82e6c98-63
0.360
MAR-TRE-8190bb11-29
0.359
MAR-TRE-4f781e27-62
0.359
MAR-TRE-4f781e27-87
0.359
MAR-TRE-92684b97-59
0.359
MAR-TRE-799db12b-38
0.358
MAR-TRE-8190bb11-38
0.357
MAR-TRE-9d18ae8c-11
0.356
MAR-TRE-8190bb11-31
0.356
MAR-TRE-9d18ae8c-43
0.356
MAR-TRE-799db12b-51
0.356
MAR-TRE-8190bb11-8
0.356
MAR-TRE-799db12b-42
0.356
MAR-TRE-8190bb11-53
0.354
MAR-TRE-e82e6c98-89
0.354
MAR-TRE-a9136c7b-92
0.354
MAR-TRE-66ac689e-50
0.354
MAR-TRE-4f781e27-63
0.354
MAR-TRE-92684b97-58
0.354
MAR-TRE-66ac689e-63
0.354
MAR-TRE-e82e6c98-58
0.354
MAR-TRE-9d18ae8c-18
0.353
MAR-TRE-9d18ae8c-46
0.353
MAR-TRE-799db12b-2
0.353
MAR-TRE-4f781e27-46
0.351
MAR-TRE-8190bb11-13
0.351
MAR-TRE-66ac689e-13
0.350
MAR-TRE-4f781e27-64
0.350
MAR-TRE-c317dd82-28
0.350
MAR-TRE-be9ff7d2-13
0.350
MAR-TRE-66ac689e-43
0.349
MAR-TRE-66ac689e-44
0.349
MAR-TRE-92684b97-90
0.349
MAR-TRE-8190bb11-21
0.349
MAR-TRE-4f781e27-2
0.349
MAR-TRE-9d18ae8c-52
0.349
MAR-TRE-9d18ae8c-44
0.349
MAR-TRE-66ac689e-65
0.349
MAR-TRE-66ac689e-11
0.349
MAR-TRE-4f781e27-95
0.346
MAR-TRE-92684b97-60
0.346
MAR-TRE-a9136c7b-39
0.346
MAR-TRE-92684b97-24
0.346
MAR-TRE-9d18ae8c-48
0.346