Molecular Properties | |
SMILES: | Cn1cc(S(=O)(=O)NC(=O)c2cncnc2)c(=O)n(C)c1=O |
MW: | 325.05 |
Fraction sp3: | 0.18 |
HBA: | 9 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 133.02 |
cLogP: | -2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
Hetero_hetero
MAR-TRE-66ac689e-50
0.466
MAR-TRE-8190bb11-78
0.465
MAR-TRE-a9136c7b-20
0.457
MAR-TRE-92684b97-40
0.457
MAR-TRE-a9136c7b-61
0.453
MAR-TRE-4f781e27-54
0.452
MAR-TRE-92684b97-48
0.451
MAR-TRE-92684b97-21
0.449
MAR-TRE-e82e6c98-58
0.446
MAR-TRE-66ac689e-6
0.446
MAR-TRE-4f781e27-63
0.446
MAR-TRE-92684b97-13
0.444
MAR-TRE-be9ff7d2-31
0.443
MAR-TRE-4f781e27-72
0.443
MAR-TRE-4f781e27-89
0.442
MAR-TRE-92684b97-69
0.438
MAR-TRE-9d18ae8c-25
0.438
MAR-TRE-799db12b-10
0.438
MAR-TRE-8190bb11-57
0.437
MAR-TRE-66ac689e-78
0.434
MAR-TRE-c317dd82-1
0.432
MAR-TRE-be9ff7d2-45
0.432
MAR-TRE-8190bb11-77
0.432
MAR-TRE-799db12b-38
0.432
MAR-TRE-8190bb11-53
0.431
MAR-TRE-4f781e27-17
0.431
MAR-TRE-a9136c7b-92
0.431
MAR-TRE-799db12b-30
0.430
MAR-TRE-8190bb11-38
0.429
MAR-TRE-92684b97-58
0.427
MAR-TRE-66ac689e-63
0.427
MAR-TRE-66ac689e-44
0.421
MAR-TRE-92684b97-90
0.421
MAR-TRE-c317dd82-100
0.419
MAR-TRE-8190bb11-15
0.419
MAR-TRE-92684b97-34
0.419
MAR-TRE-8190bb11-84
0.419
MAR-TRE-4f781e27-97
0.418
MAR-TRE-a9136c7b-40
0.417
MAR-TRE-8190bb11-63
0.416
MAR-TRE-9d18ae8c-70
0.416
MAR-TRE-e82e6c98-89
0.411
MAR-TRE-be9ff7d2-27
0.410
MAR-TRE-e82e6c98-90
0.410
MAR-TRE-92684b97-42
0.410
MAR-TRE-799db12b-42
0.407
MAR-TRE-66ac689e-13
0.405
MAR-TRE-4f781e27-3
0.405
MAR-TRE-be9ff7d2-63
0.403
MAR-TRE-799db12b-77
0.403
MAR-TRE-799db12b-88
0.403
MAR-TRE-be9ff7d2-4
0.400
MAR-TRE-e82e6c98-63
0.400
MAR-TRE-66ac689e-16
0.400
MAR-TRE-a9136c7b-84
0.400
MAR-TRE-8190bb11-19
0.400
MAR-TRE-4f781e27-61
0.400
MAR-TRE-a9136c7b-90
0.397
MAR-TRE-4f781e27-30
0.397
MAR-TRE-9d18ae8c-56
0.397
MAR-TRE-9d18ae8c-75
0.397
MAR-TRE-92684b97-59
0.397
MAR-TRE-4f781e27-50
0.397
MAR-TRE-be9ff7d2-58
0.397
MAR-TRE-8190bb11-66
0.395
MAR-TRE-92684b97-33
0.395
MAR-TRE-8190bb11-45
0.395
MAR-TRE-8190bb11-12
0.395
MAR-TRE-4f781e27-66
0.392
MAR-TRE-a9136c7b-43
0.392
MAR-TRE-4f781e27-42
0.392
MAR-TRE-66ac689e-32
0.392
MAR-TRE-c317dd82-36
0.390
MAR-TRE-8190bb11-37
0.387
MAR-TRE-8190bb11-55
0.387
MAR-TRE-c317dd82-28
0.387
MAR-TRE-a9136c7b-79
0.386
MAR-TRE-a9136c7b-60
0.385
MAR-TRE-8190bb11-44
0.384
MAR-TRE-4f781e27-95
0.384
MAR-TRE-92684b97-60
0.384
MAR-TRE-c317dd82-84
0.383
MAR-TRE-799db12b-83
0.383
MAR-TRE-66ac689e-11
0.383
MAR-TRE-9d18ae8c-45
0.381
MAR-TRE-a9136c7b-41
0.380
MAR-TRE-4f781e27-87
0.378
MAR-TRE-8190bb11-32
0.378
MAR-TRE-4f781e27-62
0.378
MAR-TRE-4f781e27-90
0.377
MAR-TRE-be9ff7d2-87
0.376
MAR-TRE-be9ff7d2-23
0.373
MAR-TRE-8190bb11-60
0.373
MAR-TRE-92684b97-9
0.373
MAR-TRE-9d18ae8c-63
0.373
MAR-TRE-8190bb11-1
0.373
MAR-TRE-a9136c7b-56
0.373
MAR-TRE-799db12b-53
0.372
MAR-TRE-799db12b-5
0.372
MAR-TRE-92684b97-94
0.370