Molecular Properties | |
SMILES: | Cn1ncc(C#N)c1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 292.04 |
Fraction sp3: | 0.1 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 130.63 |
cLogP: | -0.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-21
0.492
MAR-TRE-92684b97-59
0.478
MAR-TRE-8190bb11-63
0.472
MAR-TRE-a9136c7b-43
0.471
MAR-TRE-92684b97-60
0.463
MAR-TRE-8190bb11-44
0.463
MAR-TRE-8190bb11-60
0.449
MAR-TRE-8190bb11-1
0.449
MAR-TRE-be9ff7d2-13
0.443
MAR-TRE-a9136c7b-39
0.441
MAR-TRE-92684b97-69
0.437
MAR-TRE-c317dd82-1
0.431
MAR-TRE-92684b97-9
0.429
MAR-TRE-9d18ae8c-63
0.429
MAR-TRE-c317dd82-28
0.423
MAR-TRE-4f781e27-72
0.420
MAR-TRE-e82e6c98-63
0.418
MAR-TRE-8190bb11-15
0.417
MAR-TRE-8190bb11-84
0.417
MAR-TRE-be9ff7d2-45
0.411
MAR-TRE-4f781e27-90
0.411
MAR-TRE-e82e6c98-89
0.408
MAR-TRE-be9ff7d2-27
0.408
MAR-TRE-4f781e27-46
0.406
MAR-TRE-66ac689e-6
0.405
MAR-TRE-c317dd82-36
0.405
MAR-TRE-a9136c7b-68
0.403
MAR-TRE-4f781e27-95
0.400
MAR-TRE-a9136c7b-75
0.400
MAR-TRE-be9ff7d2-63
0.400
MAR-TRE-a9136c7b-25
0.397
MAR-TRE-a9136c7b-15
0.397
MAR-TRE-66ac689e-78
0.395
MAR-TRE-a9136c7b-61
0.395
MAR-TRE-a9136c7b-20
0.394
MAR-TRE-8190bb11-29
0.394
MAR-TRE-4f781e27-50
0.394
MAR-TRE-92684b97-40
0.394
MAR-TRE-a9136c7b-40
0.394
MAR-TRE-4f781e27-15
0.392
MAR-TRE-799db12b-38
0.392
MAR-TRE-e82e6c98-90
0.390
MAR-TRE-e82e6c98-98
0.390
MAR-TRE-92684b97-48
0.389
MAR-TRE-a9136c7b-92
0.389
MAR-TRE-4f781e27-42
0.389
MAR-TRE-a9136c7b-56
0.389
MAR-TRE-c317dd82-43
0.386
MAR-TRE-4f781e27-89
0.385
MAR-TRE-66ac689e-13
0.384
MAR-TRE-8190bb11-55
0.384
MAR-TRE-8190bb11-78
0.384
MAR-TRE-a9136c7b-3
0.384
MAR-TRE-92684b97-13
0.384
MAR-TRE-799db12b-77
0.382
MAR-TRE-799db12b-81
0.380
MAR-TRE-4f781e27-97
0.380
MAR-TRE-c317dd82-84
0.380
MAR-TRE-9d18ae8c-25
0.378
MAR-TRE-92684b97-34
0.378
MAR-TRE-799db12b-10
0.378
MAR-TRE-66ac689e-16
0.378
MAR-TRE-66ac689e-39
0.378
MAR-TRE-c317dd82-100
0.378
MAR-TRE-a9136c7b-84
0.378
MAR-TRE-8190bb11-87
0.377
MAR-TRE-4f781e27-62
0.375
MAR-TRE-be9ff7d2-58
0.375
MAR-TRE-4f781e27-87
0.375
MAR-TRE-8190bb11-32
0.375
MAR-TRE-8190bb11-57
0.375
MAR-TRE-92684b97-33
0.375
MAR-TRE-8190bb11-3
0.373
MAR-TRE-8190bb11-12
0.373
MAR-TRE-8190bb11-77
0.373
MAR-TRE-4f781e27-54
0.373
MAR-TRE-8190bb11-38
0.372
MAR-TRE-66ac689e-32
0.370
MAR-TRE-4f781e27-17
0.370
MAR-TRE-e82e6c98-45
0.370
MAR-TRE-be9ff7d2-23
0.370
MAR-TRE-8190bb11-53
0.370
MAR-TRE-799db12b-53
0.368
MAR-TRE-9d18ae8c-47
0.368
MAR-TRE-e82e6c98-58
0.368
MAR-TRE-799db12b-5
0.368
MAR-TRE-66ac689e-63
0.368
MAR-TRE-8190bb11-94
0.367
MAR-TRE-be9ff7d2-88
0.366
MAR-TRE-a9136c7b-79
0.366
MAR-TRE-8190bb11-37
0.365
MAR-TRE-a9136c7b-87
0.364
MAR-TRE-66ac689e-44
0.364
MAR-TRE-92684b97-65
0.364
MAR-TRE-92684b97-90
0.364
MAR-TRE-799db12b-88
0.364
MAR-TRE-66ac689e-11
0.362
MAR-TRE-8190bb11-19
0.362
MAR-TRE-8190bb11-21
0.362
MAR-TRE-92684b97-24
0.360