Molecular Properties | |
SMILES: | Cc1ccc(C(NC(=O)c2cncnc2)c2cccc(S(C)(=O)=O)c2)c(C)c1 |
MW: | 395.13 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 89.02 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-4
0.640
MAR-TRE-9d18ae8c-1
0.562
MAR-TRE-92684b97-1
0.556
MAR-TRE-9d18ae8c-22
0.459
MAR-TRE-8190bb11-5
0.442
MAR-TRE-92684b97-77
0.438
MAR-TRE-66ac689e-22
0.434
MAR-TRE-66ac689e-27
0.434
MAR-TRE-92684b97-86
0.427
MAR-TRE-92684b97-85
0.422
MAR-TRE-92684b97-32
0.416
MAR-TRE-8190bb11-47
0.407
MAR-TRE-9d18ae8c-99
0.400
MAR-TRE-799db12b-73
0.400
MAR-TRE-9d18ae8c-37
0.400
MAR-TRE-8190bb11-67
0.398
MAR-TRE-92684b97-13
0.398
MAR-TRE-c317dd82-24
0.395
MAR-TRE-4f781e27-20
0.393
MAR-TRE-9d18ae8c-97
0.393
MAR-TRE-92684b97-18
0.382
MAR-TRE-9d18ae8c-41
0.379
MAR-TRE-92684b97-16
0.378
MAR-TRE-799db12b-19
0.376
MAR-TRE-92684b97-12
0.376
MAR-TRE-4f781e27-68
0.375
MAR-TRE-9d18ae8c-64
0.373
MAR-TRE-9d18ae8c-92
0.370
MAR-TRE-66ac689e-3
0.369
MAR-TRE-66ac689e-84
0.368
MAR-TRE-4f781e27-51
0.364
MAR-TRE-a9136c7b-35
0.363
MAR-TRE-92684b97-35
0.361
MAR-TRE-8190bb11-28
0.361
MAR-TRE-66ac689e-42
0.360
MAR-TRE-66ac689e-72
0.360
MAR-TRE-66ac689e-93
0.360
MAR-TRE-9d18ae8c-80
0.360
MAR-TRE-a9136c7b-93
0.360
MAR-TRE-92684b97-29
0.360
MAR-TRE-66ac689e-58
0.354
MAR-TRE-92684b97-56
0.349
MAR-TRE-8190bb11-71
0.349
MAR-TRE-9d18ae8c-67
0.349
MAR-TRE-66ac689e-13
0.349
MAR-TRE-be9ff7d2-47
0.346
MAR-TRE-e82e6c98-74
0.345
MAR-TRE-8190bb11-59
0.345
MAR-TRE-92684b97-17
0.345
MAR-TRE-66ac689e-14
0.345
MAR-TRE-4f781e27-14
0.345
MAR-TRE-799db12b-31
0.344
MAR-TRE-8190bb11-87
0.344
MAR-TRE-a9136c7b-77
0.344
MAR-TRE-8190bb11-24
0.341
MAR-TRE-92684b97-59
0.341
MAR-TRE-92684b97-80
0.341
MAR-TRE-4f781e27-45
0.341
MAR-TRE-66ac689e-68
0.341
MAR-TRE-66ac689e-100
0.341
MAR-TRE-8190bb11-10
0.341
MAR-TRE-66ac689e-45
0.341
MAR-TRE-a9136c7b-52
0.340
MAR-TRE-92684b97-48
0.337
MAR-TRE-66ac689e-41
0.337
MAR-TRE-66ac689e-85
0.337
MAR-TRE-9d18ae8c-26
0.337
MAR-TRE-9d18ae8c-19
0.337
MAR-TRE-4f781e27-9
0.337
MAR-TRE-66ac689e-94
0.333
MAR-TRE-8190bb11-98
0.333
MAR-TRE-a9136c7b-58
0.333
MAR-TRE-4f781e27-86
0.333
MAR-TRE-a9136c7b-26
0.333
MAR-TRE-799db12b-49
0.333
MAR-TRE-66ac689e-36
0.333
MAR-TRE-66ac689e-82
0.333
MAR-TRE-66ac689e-97
0.333
MAR-TRE-92684b97-71
0.333
MAR-TRE-9d18ae8c-9
0.330
MAR-TRE-66ac689e-56
0.330
MAR-TRE-8190bb11-89
0.330
MAR-TRE-4f781e27-56
0.330
MAR-TRE-66ac689e-64
0.330
MAR-TRE-66ac689e-92
0.330
MAR-TRE-799db12b-55
0.330
MAR-TRE-92684b97-34
0.330
MAR-TRE-66ac689e-16
0.330
MAR-TRE-a9136c7b-33
0.330
MAR-TRE-799db12b-85
0.326
MAR-TRE-a9136c7b-46
0.326
MAR-TRE-4f781e27-71
0.326
MAR-TRE-799db12b-32
0.326
MAR-TRE-be9ff7d2-6
0.326
MAR-TRE-a9136c7b-91
0.326
MAR-TRE-92684b97-15
0.326
MAR-TRE-92684b97-40
0.326
MAR-TRE-8190bb11-11
0.326
MAR-TRE-9d18ae8c-24
0.323
MAR-TRE-799db12b-36
0.323