Molecular Properties | |
SMILES: | O=C(NS(=O)(=O)c1cnn(C2CCCC2)c1)c1cncnc1 |
MW: | 321.09 |
Fraction sp3: | 0.38 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 106.84 |
cLogP: | 0.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-c317dd82-36
0.493
MAR-TRE-8190bb11-21
0.462
MAR-TRE-799db12b-22
0.436
MAR-TRE-a9136c7b-39
0.431
MAR-TRE-4f781e27-89
0.430
MAR-TRE-e82e6c98-63
0.429
MAR-TRE-92684b97-65
0.429
MAR-TRE-c317dd82-1
0.421
MAR-TRE-be9ff7d2-45
0.421
MAR-TRE-4f781e27-46
0.417
MAR-TRE-66ac689e-6
0.416
MAR-TRE-a9136c7b-3
0.413
MAR-TRE-66ac689e-13
0.413
MAR-TRE-be9ff7d2-31
0.411
MAR-TRE-92684b97-60
0.411
MAR-TRE-9d18ae8c-44
0.407
MAR-TRE-8190bb11-29
0.405
MAR-TRE-8190bb11-32
0.405
MAR-TRE-4f781e27-62
0.405
MAR-TRE-4f781e27-87
0.405
MAR-TRE-92684b97-59
0.405
MAR-TRE-8190bb11-63
0.405
MAR-TRE-a9136c7b-61
0.405
MAR-TRE-8190bb11-3
0.403
MAR-TRE-9d18ae8c-100
0.403
MAR-TRE-a9136c7b-99
0.402
MAR-TRE-be9ff7d2-23
0.400
MAR-TRE-a9136c7b-56
0.400
MAR-TRE-66ac689e-32
0.400
MAR-TRE-8190bb11-1
0.400
MAR-TRE-8190bb11-60
0.400
MAR-TRE-92684b97-9
0.400
MAR-TRE-9d18ae8c-63
0.400
MAR-TRE-799db12b-53
0.397
MAR-TRE-9d18ae8c-47
0.397
MAR-TRE-8190bb11-37
0.395
MAR-TRE-8190bb11-44
0.392
MAR-TRE-799db12b-81
0.390
MAR-TRE-4f781e27-97
0.390
MAR-TRE-92684b97-30
0.390
MAR-TRE-92684b97-23
0.390
MAR-TRE-66ac689e-16
0.390
MAR-TRE-66ac689e-39
0.390
MAR-TRE-a9136c7b-15
0.390
MAR-TRE-66ac689e-78
0.388
MAR-TRE-4f781e27-15
0.385
MAR-TRE-e82e6c98-90
0.383
MAR-TRE-e82e6c98-89
0.382
MAR-TRE-799db12b-5
0.380
MAR-TRE-c317dd82-43
0.378
MAR-TRE-be9ff7d2-88
0.378
MAR-TRE-92684b97-94
0.378
MAR-TRE-be9ff7d2-13
0.377
MAR-TRE-8190bb11-55
0.377
MAR-TRE-a9136c7b-79
0.376
MAR-TRE-799db12b-1
0.375
MAR-TRE-92684b97-90
0.375
MAR-TRE-a9136c7b-25
0.373
MAR-TRE-4f781e27-10
0.372
MAR-TRE-c317dd82-100
0.372
MAR-TRE-8190bb11-15
0.372
MAR-TRE-92684b97-24
0.372
MAR-TRE-8190bb11-87
0.370
MAR-TRE-9d18ae8c-70
0.370
MAR-TRE-c317dd82-98
0.370
MAR-TRE-4f781e27-52
0.369
MAR-TRE-a9136c7b-40
0.368
MAR-TRE-4f781e27-54
0.367
MAR-TRE-e82e6c98-98
0.366
MAR-TRE-be9ff7d2-27
0.366
MAR-TRE-a9136c7b-88
0.365
MAR-TRE-a9136c7b-43
0.364
MAR-TRE-8190bb11-53
0.364
MAR-TRE-92684b97-48
0.364
MAR-TRE-a9136c7b-68
0.361
MAR-TRE-8190bb11-94
0.361
MAR-TRE-4f781e27-41
0.360
MAR-TRE-92684b97-21
0.360
MAR-TRE-8190bb11-78
0.359
MAR-TRE-c317dd82-28
0.359
MAR-TRE-be9ff7d2-42
0.359
MAR-TRE-4f781e27-64
0.359
MAR-TRE-92684b97-13
0.359
MAR-TRE-799db12b-88
0.358
MAR-TRE-66ac689e-4
0.357
MAR-TRE-66ac689e-65
0.357
MAR-TRE-799db12b-6
0.356
MAR-TRE-be9ff7d2-63
0.355
MAR-TRE-4f781e27-95
0.355
MAR-TRE-4f781e27-72
0.355
MAR-TRE-a9136c7b-75
0.355
MAR-TRE-799db12b-10
0.354
MAR-TRE-8190bb11-84
0.354
MAR-TRE-9d18ae8c-25
0.354
MAR-TRE-a9136c7b-41
0.354
MAR-TRE-9d18ae8c-56
0.354
MAR-TRE-9d18ae8c-75
0.354
MAR-TRE-92684b97-33
0.353
MAR-TRE-a9136c7b-1
0.352
MAR-TRE-4f781e27-50
0.351