Molecular Properties | |
SMILES: | Cc1ccc(C(=O)O)cc1S(=O)(=O)NC(=O)c1cncnc1 |
MW: | 321.04 |
Fraction sp3: | 0.08 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 126.32 |
cLogP: | 0.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-92684b97-13
0.645
MAR-TRE-8190bb11-57
0.639
MAR-TRE-92684b97-69
0.635
MAR-TRE-8190bb11-53
0.629
MAR-TRE-4f781e27-17
0.629
MAR-TRE-4f781e27-72
0.571
MAR-TRE-92684b97-48
0.554
MAR-TRE-92684b97-34
0.515
MAR-TRE-9d18ae8c-75
0.507
MAR-TRE-9d18ae8c-56
0.507
MAR-TRE-a9136c7b-20
0.493
MAR-TRE-be9ff7d2-58
0.493
MAR-TRE-a9136c7b-40
0.493
MAR-TRE-4f781e27-50
0.493
MAR-TRE-9d18ae8c-63
0.485
MAR-TRE-92684b97-21
0.485
MAR-TRE-8190bb11-37
0.478
MAR-TRE-8190bb11-78
0.478
MAR-TRE-be9ff7d2-63
0.478
MAR-TRE-4f781e27-95
0.478
MAR-TRE-799db12b-10
0.471
MAR-TRE-9d18ae8c-25
0.471
MAR-TRE-4f781e27-87
0.471
MAR-TRE-92684b97-59
0.471
MAR-TRE-8190bb11-12
0.465
MAR-TRE-8190bb11-45
0.465
MAR-TRE-8190bb11-77
0.465
MAR-TRE-a9136c7b-56
0.464
MAR-TRE-66ac689e-32
0.464
MAR-TRE-a9136c7b-92
0.464
MAR-TRE-4f781e27-46
0.463
MAR-TRE-e82e6c98-58
0.458
MAR-TRE-66ac689e-63
0.458
MAR-TRE-be9ff7d2-13
0.457
MAR-TRE-e82e6c98-63
0.455
MAR-TRE-8190bb11-84
0.451
MAR-TRE-8190bb11-29
0.449
MAR-TRE-8190bb11-32
0.449
MAR-TRE-4f781e27-15
0.444
MAR-TRE-4f781e27-54
0.444
MAR-TRE-be9ff7d2-23
0.443
MAR-TRE-e82e6c98-45
0.443
MAR-TRE-e82e6c98-89
0.443
MAR-TRE-92684b97-33
0.442
MAR-TRE-c317dd82-43
0.441
MAR-TRE-8190bb11-38
0.440
MAR-TRE-66ac689e-6
0.438
MAR-TRE-799db12b-5
0.438
MAR-TRE-66ac689e-50
0.438
MAR-TRE-66ac689e-13
0.437
MAR-TRE-8190bb11-55
0.437
MAR-TRE-a9136c7b-3
0.437
MAR-TRE-799db12b-42
0.436
MAR-TRE-a9136c7b-75
0.435
MAR-TRE-66ac689e-44
0.432
MAR-TRE-799db12b-77
0.432
MAR-TRE-92684b97-90
0.432
MAR-TRE-c317dd82-100
0.431
MAR-TRE-66ac689e-16
0.431
MAR-TRE-8190bb11-15
0.431
MAR-TRE-a9136c7b-84
0.431
MAR-TRE-66ac689e-11
0.429
MAR-TRE-8190bb11-87
0.427
MAR-TRE-a9136c7b-90
0.427
MAR-TRE-799db12b-6
0.425
MAR-TRE-8190bb11-3
0.425
MAR-TRE-a9136c7b-43
0.423
MAR-TRE-4f781e27-42
0.423
MAR-TRE-92684b97-9
0.423
MAR-TRE-92684b97-42
0.421
MAR-TRE-4f781e27-63
0.419
MAR-TRE-9d18ae8c-47
0.419
MAR-TRE-92684b97-58
0.419
MAR-TRE-8190bb11-94
0.416
MAR-TRE-4f781e27-3
0.416
MAR-TRE-a9136c7b-39
0.414
MAR-TRE-92684b97-60
0.414
MAR-TRE-a9136c7b-60
0.413
MAR-TRE-799db12b-88
0.413
MAR-TRE-a9136c7b-15
0.411
MAR-TRE-4f781e27-61
0.410
MAR-TRE-8190bb11-19
0.410
MAR-TRE-be9ff7d2-4
0.410
MAR-TRE-4f781e27-62
0.408
MAR-TRE-4f781e27-30
0.408
MAR-TRE-a9136c7b-41
0.408
MAR-TRE-9d18ae8c-70
0.408
MAR-TRE-66ac689e-78
0.408
MAR-TRE-c317dd82-1
0.405
MAR-TRE-be9ff7d2-45
0.405
MAR-TRE-799db12b-30
0.405
MAR-TRE-8190bb11-1
0.403
MAR-TRE-8190bb11-60
0.403
MAR-TRE-be9ff7d2-27
0.403
MAR-TRE-e82e6c98-90
0.403
MAR-TRE-4f781e27-66
0.403
MAR-TRE-9d18ae8c-5
0.400
MAR-TRE-4f781e27-89
0.397
MAR-TRE-c317dd82-28
0.397
MAR-TRE-c317dd82-79
0.395