Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)c1ccc(S(C)(=O)=O)cc1 |
MW: | 305.08 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 89.02 |
cLogP: | 1.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-3
0.719
MAR-TRE-8190bb11-47
0.644
MAR-TRE-799db12b-73
0.522
MAR-TRE-66ac689e-22
0.522
MAR-TRE-66ac689e-27
0.522
MAR-TRE-799db12b-100
0.500
MAR-TRE-799db12b-99
0.500
MAR-TRE-799db12b-32
0.485
MAR-TRE-4f781e27-59
0.479
MAR-TRE-8190bb11-24
0.476
MAR-TRE-66ac689e-72
0.471
MAR-TRE-66ac689e-14
0.455
MAR-TRE-799db12b-82
0.452
MAR-TRE-9d18ae8c-4
0.452
MAR-TRE-9d18ae8c-3
0.442
MAR-TRE-9d18ae8c-1
0.440
MAR-TRE-66ac689e-45
0.438
MAR-TRE-92684b97-1
0.434
MAR-TRE-a9136c7b-19
0.429
MAR-TRE-9d18ae8c-59
0.424
MAR-TRE-799db12b-45
0.423
MAR-TRE-9d18ae8c-9
0.421
MAR-TRE-8190bb11-72
0.420
MAR-TRE-92684b97-13
0.414
MAR-TRE-8190bb11-98
0.414
MAR-TRE-a9136c7b-13
0.412
MAR-TRE-66ac689e-57
0.412
MAR-TRE-799db12b-36
0.410
MAR-TRE-9d18ae8c-21
0.406
MAR-TRE-66ac689e-5
0.405
MAR-TRE-799db12b-49
0.405
MAR-TRE-c317dd82-48
0.400
MAR-TRE-92684b97-56
0.397
MAR-TRE-66ac689e-66
0.392
MAR-TRE-e82e6c98-74
0.391
MAR-TRE-9d18ae8c-40
0.389
MAR-TRE-9d18ae8c-85
0.386
MAR-TRE-92684b97-80
0.386
MAR-TRE-9d18ae8c-87
0.386
MAR-TRE-92684b97-63
0.382
MAR-TRE-66ac689e-58
0.382
MAR-TRE-66ac689e-62
0.382
MAR-TRE-4f781e27-70
0.382
MAR-TRE-66ac689e-18
0.380
MAR-TRE-a9136c7b-82
0.377
MAR-TRE-8190bb11-67
0.377
MAR-TRE-66ac689e-77
0.377
MAR-TRE-799db12b-47
0.375
MAR-TRE-66ac689e-13
0.375
MAR-TRE-66ac689e-15
0.375
MAR-TRE-92684b97-71
0.375
MAR-TRE-66ac689e-95
0.375
MAR-TRE-66ac689e-94
0.373
MAR-TRE-be9ff7d2-47
0.373
MAR-TRE-9d18ae8c-62
0.372
MAR-TRE-66ac689e-49
0.371
MAR-TRE-92684b97-35
0.371
MAR-TRE-4f781e27-73
0.371
MAR-TRE-799db12b-46
0.370
MAR-TRE-799db12b-55
0.370
MAR-TRE-799db12b-94
0.370
MAR-TRE-66ac689e-16
0.370
MAR-TRE-66ac689e-42
0.370
MAR-TRE-66ac689e-80
0.370
MAR-TRE-9d18ae8c-97
0.370
MAR-TRE-92684b97-86
0.370
MAR-TRE-66ac689e-79
0.370
MAR-TRE-799db12b-31
0.368
MAR-TRE-9d18ae8c-80
0.368
MAR-TRE-66ac689e-64
0.368
MAR-TRE-92684b97-100
0.368
MAR-TRE-e82e6c98-70
0.368
MAR-TRE-8190bb11-11
0.366
MAR-TRE-9d18ae8c-64
0.366
MAR-TRE-be9ff7d2-6
0.365
MAR-TRE-799db12b-79
0.365
MAR-TRE-66ac689e-100
0.365
MAR-TRE-92684b97-85
0.365
MAR-TRE-be9ff7d2-56
0.364
MAR-TRE-a9136c7b-59
0.364
MAR-TRE-a9136c7b-62
0.364
MAR-TRE-c317dd82-41
0.364
MAR-TRE-e82e6c98-30
0.362
MAR-TRE-92684b97-77
0.361
MAR-TRE-799db12b-61
0.361
MAR-TRE-8190bb11-54
0.361
MAR-TRE-4f781e27-29
0.361
MAR-TRE-799db12b-96
0.361
MAR-TRE-8190bb11-97
0.361
MAR-TRE-9d18ae8c-99
0.360
MAR-TRE-799db12b-50
0.360
MAR-TRE-66ac689e-71
0.360
MAR-TRE-66ac689e-85
0.360
MAR-TRE-e82e6c98-88
0.359
MAR-TRE-a9136c7b-74
0.359
MAR-TRE-4f781e27-38
0.359
MAR-TRE-92684b97-36
0.359
MAR-TRE-c317dd82-96
0.357
MAR-TRE-92684b97-87
0.357
MAR-TRE-8190bb11-71
0.357