Molecular Properties | |
SMILES: | COc1ccc(C(NC(=O)c2cncnc2)c2cccc(S(C)(=O)=O)c2)cc1 |
MW: | 397.11 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.25 |
cLogP: | 2.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-4
0.754
MAR-TRE-9d18ae8c-1
0.732
MAR-TRE-92684b97-77
0.592
MAR-TRE-9d18ae8c-3
0.556
MAR-TRE-8190bb11-67
0.551
MAR-TRE-799db12b-31
0.545
MAR-TRE-799db12b-28
0.532
MAR-TRE-4f781e27-20
0.525
MAR-TRE-66ac689e-57
0.480
MAR-TRE-9d18ae8c-92
0.476
MAR-TRE-66ac689e-18
0.468
MAR-TRE-799db12b-19
0.465
MAR-TRE-92684b97-12
0.465
MAR-TRE-799db12b-47
0.462
MAR-TRE-799db12b-46
0.456
MAR-TRE-66ac689e-93
0.456
MAR-TRE-799db12b-94
0.456
MAR-TRE-a9136c7b-69
0.452
MAR-TRE-799db12b-50
0.444
MAR-TRE-9d18ae8c-99
0.444
MAR-TRE-92684b97-32
0.442
MAR-TRE-799db12b-80
0.439
MAR-TRE-9d18ae8c-26
0.437
MAR-TRE-8190bb11-5
0.434
MAR-TRE-66ac689e-58
0.434
MAR-TRE-92684b97-29
0.434
MAR-TRE-a9136c7b-59
0.429
MAR-TRE-66ac689e-27
0.427
MAR-TRE-66ac689e-22
0.427
MAR-TRE-66ac689e-97
0.422
MAR-TRE-9d18ae8c-19
0.420
MAR-TRE-4f781e27-9
0.420
MAR-TRE-8190bb11-47
0.418
MAR-TRE-4f781e27-68
0.417
MAR-TRE-4f781e27-56
0.417
MAR-TRE-9d18ae8c-37
0.410
MAR-TRE-799db12b-73
0.410
MAR-TRE-4f781e27-51
0.405
MAR-TRE-9d18ae8c-24
0.404
MAR-TRE-9d18ae8c-22
0.402
MAR-TRE-66ac689e-98
0.398
MAR-TRE-a9136c7b-98
0.398
MAR-TRE-be9ff7d2-3
0.395
MAR-TRE-92684b97-18
0.391
MAR-TRE-8190bb11-70
0.391
MAR-TRE-9d18ae8c-67
0.390
MAR-TRE-be9ff7d2-64
0.388
MAR-TRE-92684b97-16
0.386
MAR-TRE-4f781e27-14
0.386
MAR-TRE-a9136c7b-77
0.384
MAR-TRE-92684b97-2
0.382
MAR-TRE-799db12b-79
0.381
MAR-TRE-4f781e27-45
0.381
MAR-TRE-8190bb11-10
0.381
MAR-TRE-9d18ae8c-60
0.379
MAR-TRE-799db12b-87
0.379
MAR-TRE-9d18ae8c-86
0.378
MAR-TRE-66ac689e-84
0.376
MAR-TRE-66ac689e-85
0.376
MAR-TRE-4f781e27-37
0.372
MAR-TRE-9d18ae8c-41
0.372
MAR-TRE-66ac689e-94
0.372
MAR-TRE-a9136c7b-49
0.372
MAR-TRE-a9136c7b-70
0.372
MAR-TRE-a9136c7b-78
0.371
MAR-TRE-a9136c7b-35
0.371
MAR-TRE-92684b97-35
0.370
MAR-TRE-a9136c7b-26
0.370
MAR-TRE-799db12b-55
0.369
MAR-TRE-66ac689e-42
0.369
MAR-TRE-92684b97-86
0.369
MAR-TRE-8190bb11-89
0.368
MAR-TRE-9d18ae8c-80
0.368
MAR-TRE-66ac689e-64
0.368
MAR-TRE-66ac689e-56
0.368
MAR-TRE-92684b97-92
0.367
MAR-TRE-8190bb11-77
0.365
MAR-TRE-92684b97-85
0.365
MAR-TRE-799db12b-32
0.365
MAR-TRE-66ac689e-100
0.365
MAR-TRE-92684b97-15
0.365
MAR-TRE-4f781e27-71
0.364
MAR-TRE-799db12b-85
0.363
MAR-TRE-66ac689e-3
0.361
MAR-TRE-799db12b-61
0.361
MAR-TRE-92684b97-84
0.360
MAR-TRE-c317dd82-48
0.359
MAR-TRE-8190bb11-71
0.358
MAR-TRE-66ac689e-95
0.357
MAR-TRE-66ac689e-82
0.356
MAR-TRE-799db12b-58
0.356
MAR-TRE-799db12b-78
0.356
MAR-TRE-be9ff7d2-47
0.354
MAR-TRE-8190bb11-59
0.354
MAR-TRE-8190bb11-28
0.354
MAR-TRE-66ac689e-23
0.354
MAR-TRE-92684b97-17
0.354
MAR-TRE-e82e6c98-74
0.354
MAR-TRE-66ac689e-72
0.353
MAR-TRE-9d18ae8c-28
0.353