Molecular Properties | |
SMILES: | CCc1ccc(C(NC(=O)c2cncnc2)c2cccc(S(C)(=O)=O)c2)cc1 |
MW: | 395.13 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 89.02 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-4
0.765
MAR-TRE-92684b97-1
0.732
MAR-TRE-9d18ae8c-3
0.562
MAR-TRE-9d18ae8c-87
0.500
MAR-TRE-92684b97-77
0.493
MAR-TRE-9d18ae8c-92
0.482
MAR-TRE-4f781e27-20
0.458
MAR-TRE-8190bb11-47
0.442
MAR-TRE-66ac689e-58
0.440
MAR-TRE-8190bb11-5
0.440
MAR-TRE-4f781e27-68
0.439
MAR-TRE-66ac689e-22
0.432
MAR-TRE-66ac689e-27
0.432
MAR-TRE-9d18ae8c-26
0.425
MAR-TRE-799db12b-73
0.415
MAR-TRE-66ac689e-84
0.415
MAR-TRE-9d18ae8c-37
0.415
MAR-TRE-92684b97-18
0.412
MAR-TRE-92684b97-16
0.407
MAR-TRE-9d18ae8c-22
0.407
MAR-TRE-66ac689e-85
0.398
MAR-TRE-92684b97-86
0.390
MAR-TRE-8190bb11-24
0.390
MAR-TRE-799db12b-19
0.389
MAR-TRE-92684b97-12
0.389
MAR-TRE-66ac689e-56
0.388
MAR-TRE-9d18ae8c-80
0.388
MAR-TRE-8190bb11-89
0.388
MAR-TRE-a9136c7b-77
0.388
MAR-TRE-92684b97-85
0.386
MAR-TRE-66ac689e-68
0.386
MAR-TRE-66ac689e-41
0.383
MAR-TRE-92684b97-32
0.382
MAR-TRE-9d18ae8c-99
0.381
MAR-TRE-8190bb11-71
0.380
MAR-TRE-8190bb11-67
0.379
MAR-TRE-799db12b-28
0.379
MAR-TRE-9d18ae8c-67
0.378
MAR-TRE-9d18ae8c-19
0.378
MAR-TRE-4f781e27-51
0.376
MAR-TRE-9d18ae8c-41
0.376
MAR-TRE-a9136c7b-35
0.375
MAR-TRE-8190bb11-59
0.375
MAR-TRE-92684b97-35
0.375
MAR-TRE-66ac689e-42
0.373
MAR-TRE-66ac689e-93
0.373
MAR-TRE-8190bb11-87
0.372
MAR-TRE-4f781e27-56
0.372
MAR-TRE-799db12b-31
0.372
MAR-TRE-66ac689e-100
0.369
MAR-TRE-8190bb11-10
0.369
MAR-TRE-92684b97-15
0.369
MAR-TRE-9d18ae8c-59
0.367
MAR-TRE-66ac689e-3
0.366
MAR-TRE-799db12b-61
0.366
MAR-TRE-9d18ae8c-24
0.363
MAR-TRE-92684b97-11
0.361
MAR-TRE-c317dd82-24
0.360
MAR-TRE-66ac689e-82
0.360
MAR-TRE-66ac689e-94
0.360
MAR-TRE-66ac689e-97
0.360
MAR-TRE-799db12b-58
0.360
MAR-TRE-be9ff7d2-47
0.359
MAR-TRE-a9136c7b-26
0.359
MAR-TRE-8190bb11-28
0.358
MAR-TRE-92684b97-17
0.358
MAR-TRE-e82e6c98-74
0.358
MAR-TRE-66ac689e-12
0.357
MAR-TRE-4f781e27-14
0.357
MAR-TRE-66ac689e-72
0.357
MAR-TRE-9d18ae8c-97
0.357
MAR-TRE-799db12b-55
0.357
MAR-TRE-a9136c7b-93
0.356
MAR-TRE-66ac689e-64
0.356
MAR-TRE-66ac689e-92
0.356
MAR-TRE-92684b97-29
0.356
MAR-TRE-92684b97-80
0.354
MAR-TRE-8190bb11-11
0.354
MAR-TRE-92684b97-26
0.354
MAR-TRE-4f781e27-45
0.353
MAR-TRE-4f781e27-71
0.352
MAR-TRE-9d18ae8c-86
0.352
MAR-TRE-66ac689e-62
0.350
MAR-TRE-799db12b-23
0.349
MAR-TRE-8190bb11-97
0.349
MAR-TRE-799db12b-96
0.349
MAR-TRE-8190bb11-70
0.348
MAR-TRE-4f781e27-9
0.348
MAR-TRE-8190bb11-13
0.346
MAR-TRE-92684b97-56
0.346
MAR-TRE-66ac689e-95
0.345
MAR-TRE-92684b97-13
0.345
MAR-TRE-799db12b-15
0.345
MAR-TRE-a9136c7b-49
0.345
MAR-TRE-a9136c7b-58
0.344
MAR-TRE-799db12b-78
0.344
MAR-TRE-8190bb11-48
0.341
MAR-TRE-66ac689e-57
0.341
MAR-TRE-a9136c7b-33
0.341
MAR-TRE-92684b97-91
0.341