Molecular Properties | |
SMILES: | Cn1cc(S(=O)(=O)NC(=O)c2cncnc2)cc1CC(=O)O |
MW: | 324.05 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 131.25 |
cLogP: | -0.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-c317dd82-1
0.588
MAR-TRE-c317dd82-36
0.514
MAR-TRE-e82e6c98-63
0.493
MAR-TRE-9d18ae8c-63
0.479
MAR-TRE-92684b97-59
0.465
MAR-TRE-4f781e27-62
0.465
MAR-TRE-a9136c7b-61
0.461
MAR-TRE-a9136c7b-56
0.458
MAR-TRE-4f781e27-46
0.457
MAR-TRE-9d18ae8c-47
0.453
MAR-TRE-66ac689e-6
0.453
MAR-TRE-66ac689e-13
0.452
MAR-TRE-8190bb11-94
0.449
MAR-TRE-66ac689e-16
0.446
MAR-TRE-8190bb11-32
0.444
MAR-TRE-4f781e27-87
0.444
MAR-TRE-8190bb11-29
0.444
MAR-TRE-8190bb11-87
0.442
MAR-TRE-8190bb11-3
0.440
MAR-TRE-4f781e27-15
0.440
MAR-TRE-66ac689e-32
0.438
MAR-TRE-92684b97-9
0.438
MAR-TRE-4f781e27-42
0.438
MAR-TRE-be9ff7d2-23
0.438
MAR-TRE-799db12b-5
0.434
MAR-TRE-a9136c7b-3
0.432
MAR-TRE-8190bb11-37
0.432
MAR-TRE-be9ff7d2-13
0.432
MAR-TRE-92684b97-60
0.431
MAR-TRE-a9136c7b-39
0.431
MAR-TRE-a9136c7b-79
0.427
MAR-TRE-a9136c7b-15
0.427
MAR-TRE-4f781e27-97
0.425
MAR-TRE-66ac689e-11
0.425
MAR-TRE-8190bb11-21
0.425
MAR-TRE-799db12b-6
0.422
MAR-TRE-4f781e27-90
0.421
MAR-TRE-8190bb11-1
0.419
MAR-TRE-8190bb11-60
0.419
MAR-TRE-a9136c7b-1
0.417
MAR-TRE-92684b97-13
0.413
MAR-TRE-be9ff7d2-31
0.411
MAR-TRE-4f781e27-72
0.411
MAR-TRE-92684b97-34
0.408
MAR-TRE-66ac689e-4
0.407
MAR-TRE-92684b97-40
0.405
MAR-TRE-4f781e27-50
0.405
MAR-TRE-9d18ae8c-100
0.403
MAR-TRE-8190bb11-38
0.400
MAR-TRE-799db12b-22
0.400
MAR-TRE-92684b97-48
0.400
MAR-TRE-799db12b-53
0.397
MAR-TRE-8190bb11-55
0.395
MAR-TRE-8190bb11-78
0.395
MAR-TRE-92684b97-65
0.392
MAR-TRE-4f781e27-95
0.392
MAR-TRE-be9ff7d2-63
0.392
MAR-TRE-a9136c7b-75
0.392
MAR-TRE-799db12b-1
0.391
MAR-TRE-66ac689e-65
0.390
MAR-TRE-799db12b-81
0.390
MAR-TRE-a9136c7b-40
0.387
MAR-TRE-be9ff7d2-58
0.387
MAR-TRE-8190bb11-57
0.387
MAR-TRE-9d18ae8c-73
0.387
MAR-TRE-8190bb11-53
0.382
MAR-TRE-a9136c7b-92
0.382
MAR-TRE-4f781e27-17
0.382
MAR-TRE-e82e6c98-45
0.382
MAR-TRE-e82e6c98-89
0.382
MAR-TRE-a9136c7b-88
0.381
MAR-TRE-c317dd82-43
0.378
MAR-TRE-4f781e27-89
0.378
MAR-TRE-92684b97-94
0.378
MAR-TRE-c317dd82-28
0.377
MAR-TRE-92684b97-23
0.373
MAR-TRE-92684b97-30
0.373
MAR-TRE-9d18ae8c-44
0.373
MAR-TRE-4f781e27-10
0.372
MAR-TRE-a9136c7b-84
0.372
MAR-TRE-799db12b-10
0.372
MAR-TRE-92684b97-69
0.372
MAR-TRE-9d18ae8c-25
0.372
MAR-TRE-c317dd82-100
0.372
MAR-TRE-8190bb11-63
0.370
MAR-TRE-a9136c7b-99
0.369
MAR-TRE-4f781e27-52
0.369
MAR-TRE-a9136c7b-20
0.368
MAR-TRE-8190bb11-12
0.367
MAR-TRE-8190bb11-45
0.367
MAR-TRE-799db12b-38
0.367
MAR-TRE-8190bb11-77
0.367
MAR-TRE-e82e6c98-27
0.365
MAR-TRE-9d18ae8c-77
0.365
MAR-TRE-9d18ae8c-5
0.365
MAR-TRE-a9136c7b-43
0.364
MAR-TRE-e82e6c98-58
0.362
MAR-TRE-66ac689e-50
0.362
MAR-TRE-66ac689e-63
0.362
MAR-TRE-9d18ae8c-82
0.360