Molecular Properties | |
SMILES: | O=C(O)Cc1ccc(S(=O)(=O)NC(=O)c2cncnc2)s1 |
MW: | 327.0 |
Fraction sp3: | 0.09 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 126.32 |
cLogP: | 0.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-799db12b-38
0.667
MAR-TRE-a9136c7b-75
0.515
MAR-TRE-4f781e27-50
0.485
MAR-TRE-4f781e27-72
0.449
MAR-TRE-9d18ae8c-73
0.443
MAR-TRE-be9ff7d2-45
0.438
MAR-TRE-be9ff7d2-23
0.437
MAR-TRE-e82e6c98-45
0.437
MAR-TRE-e82e6c98-63
0.426
MAR-TRE-8190bb11-32
0.423
MAR-TRE-4f781e27-87
0.423
MAR-TRE-be9ff7d2-58
0.423
MAR-TRE-92684b97-40
0.423
MAR-TRE-a9136c7b-20
0.423
MAR-TRE-4f781e27-62
0.423
MAR-TRE-92684b97-48
0.417
MAR-TRE-a9136c7b-56
0.417
MAR-TRE-66ac689e-32
0.417
MAR-TRE-c317dd82-43
0.414
MAR-TRE-9d18ae8c-47
0.413
MAR-TRE-a9136c7b-3
0.411
MAR-TRE-8190bb11-55
0.411
MAR-TRE-8190bb11-37
0.411
MAR-TRE-8190bb11-44
0.408
MAR-TRE-be9ff7d2-63
0.408
MAR-TRE-92684b97-34
0.405
MAR-TRE-a9136c7b-54
0.405
MAR-TRE-66ac689e-11
0.405
MAR-TRE-a9136c7b-40
0.403
MAR-TRE-8190bb11-57
0.403
MAR-TRE-a9136c7b-41
0.403
MAR-TRE-8190bb11-45
0.400
MAR-TRE-8190bb11-3
0.400
MAR-TRE-a9136c7b-1
0.398
MAR-TRE-8190bb11-53
0.397
MAR-TRE-4f781e27-17
0.397
MAR-TRE-9d18ae8c-63
0.397
MAR-TRE-9d18ae8c-5
0.395
MAR-TRE-799db12b-5
0.395
MAR-TRE-c317dd82-36
0.395
MAR-TRE-e82e6c98-58
0.395
MAR-TRE-66ac689e-50
0.395
MAR-TRE-92684b97-21
0.394
MAR-TRE-4f781e27-46
0.394
MAR-TRE-92684b97-13
0.392
MAR-TRE-be9ff7d2-13
0.392
MAR-TRE-a9136c7b-24
0.390
MAR-TRE-66ac689e-44
0.390
MAR-TRE-92684b97-60
0.389
MAR-TRE-be9ff7d2-31
0.389
MAR-TRE-92684b97-24
0.387
MAR-TRE-92684b97-69
0.387
MAR-TRE-9d18ae8c-25
0.387
MAR-TRE-a9136c7b-15
0.387
MAR-TRE-a9136c7b-84
0.387
MAR-TRE-92684b97-59
0.384
MAR-TRE-8190bb11-29
0.384
MAR-TRE-8190bb11-12
0.382
MAR-TRE-4f781e27-15
0.382
MAR-TRE-4f781e27-54
0.382
MAR-TRE-e82e6c98-27
0.380
MAR-TRE-8190bb11-38
0.380
MAR-TRE-e82e6c98-89
0.378
MAR-TRE-92684b97-9
0.378
MAR-TRE-a9136c7b-43
0.378
MAR-TRE-8190bb11-1
0.378
MAR-TRE-8190bb11-60
0.378
MAR-TRE-92684b97-58
0.377
MAR-TRE-799db12b-53
0.377
MAR-TRE-8190bb11-94
0.375
MAR-TRE-a9136c7b-68
0.375
MAR-TRE-c317dd82-28
0.373
MAR-TRE-66ac689e-13
0.373
MAR-TRE-8190bb11-78
0.373
MAR-TRE-92684b97-65
0.372
MAR-TRE-92684b97-90
0.372
MAR-TRE-799db12b-88
0.372
MAR-TRE-a9136c7b-87
0.372
MAR-TRE-8190bb11-19
0.370
MAR-TRE-8190bb11-21
0.370
MAR-TRE-a9136c7b-39
0.370
MAR-TRE-4f781e27-95
0.370
MAR-TRE-799db12b-6
0.369
MAR-TRE-66ac689e-39
0.368
MAR-TRE-8190bb11-15
0.368
MAR-TRE-c317dd82-100
0.368
MAR-TRE-799db12b-10
0.368
MAR-TRE-66ac689e-16
0.368
MAR-TRE-8190bb11-84
0.368
MAR-TRE-9d18ae8c-70
0.367
MAR-TRE-8190bb11-87
0.367
MAR-TRE-a9136c7b-17
0.366
MAR-TRE-c317dd82-1
0.364
MAR-TRE-9d18ae8c-100
0.364
MAR-TRE-8190bb11-77
0.364
MAR-TRE-e82e6c98-90
0.362
MAR-TRE-799db12b-22
0.362
MAR-TRE-a9136c7b-92
0.360
MAR-TRE-66ac689e-6
0.359
MAR-TRE-66ac689e-63
0.359