Molecular Properties | |
SMILES: | CC1(C)Cc2cccc(S(=O)(=O)NC(=O)c3cncnc3)c2O1 |
MW: | 333.08 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.25 |
cLogP: | 1.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-4f781e27-63
0.513
MAR-TRE-799db12b-88
0.506
MAR-TRE-92684b97-90
0.450
MAR-TRE-4f781e27-54
0.443
MAR-TRE-92684b97-21
0.440
MAR-TRE-4f781e27-89
0.434
MAR-TRE-66ac689e-44
0.432
MAR-TRE-8190bb11-15
0.430
MAR-TRE-9d18ae8c-25
0.430
MAR-TRE-92684b97-34
0.430
MAR-TRE-9d18ae8c-70
0.427
MAR-TRE-92684b97-42
0.422
MAR-TRE-92684b97-58
0.420
MAR-TRE-66ac689e-50
0.420
MAR-TRE-799db12b-42
0.419
MAR-TRE-799db12b-10
0.412
MAR-TRE-a9136c7b-84
0.412
MAR-TRE-799db12b-83
0.412
MAR-TRE-92684b97-40
0.410
MAR-TRE-4f781e27-30
0.410
MAR-TRE-8190bb11-53
0.405
MAR-TRE-92684b97-48
0.405
MAR-TRE-a9136c7b-92
0.405
MAR-TRE-be9ff7d2-13
0.400
MAR-TRE-8190bb11-78
0.400
MAR-TRE-92684b97-13
0.400
MAR-TRE-4f781e27-3
0.400
MAR-TRE-4f781e27-72
0.397
MAR-TRE-be9ff7d2-4
0.395
MAR-TRE-66ac689e-16
0.395
MAR-TRE-c317dd82-100
0.395
MAR-TRE-8190bb11-84
0.395
MAR-TRE-92684b97-69
0.395
MAR-TRE-a9136c7b-90
0.393
MAR-TRE-8190bb11-57
0.392
MAR-TRE-a9136c7b-20
0.392
MAR-TRE-799db12b-30
0.391
MAR-TRE-8190bb11-77
0.390
MAR-TRE-8190bb11-38
0.388
MAR-TRE-4f781e27-17
0.388
MAR-TRE-66ac689e-63
0.386
MAR-TRE-e82e6c98-58
0.386
MAR-TRE-66ac689e-13
0.383
MAR-TRE-c317dd82-79
0.382
MAR-TRE-799db12b-77
0.381
MAR-TRE-4f781e27-61
0.379
MAR-TRE-66ac689e-11
0.379
MAR-TRE-9d18ae8c-56
0.376
MAR-TRE-8190bb11-63
0.376
MAR-TRE-9d18ae8c-75
0.376
MAR-TRE-a9136c7b-40
0.375
MAR-TRE-8190bb11-66
0.375
MAR-TRE-8190bb11-45
0.373
MAR-TRE-9d18ae8c-100
0.373
MAR-TRE-4f781e27-66
0.372
MAR-TRE-e82e6c98-90
0.372
MAR-TRE-e82e6c98-89
0.370
MAR-TRE-92684b97-9
0.370
MAR-TRE-4f781e27-42
0.370
MAR-TRE-9d18ae8c-47
0.369
MAR-TRE-8190bb11-37
0.366
MAR-TRE-a9136c7b-60
0.365
MAR-TRE-4f781e27-55
0.365
MAR-TRE-4f781e27-97
0.364
MAR-TRE-9d18ae8c-45
0.363
MAR-TRE-4f781e27-95
0.362
MAR-TRE-be9ff7d2-31
0.362
MAR-TRE-be9ff7d2-63
0.362
MAR-TRE-8190bb11-44
0.362
MAR-TRE-66ac689e-78
0.360
MAR-TRE-8190bb11-87
0.360
MAR-TRE-92684b97-33
0.360
MAR-TRE-92684b97-59
0.358
MAR-TRE-8190bb11-12
0.357
MAR-TRE-799db12b-38
0.357
MAR-TRE-be9ff7d2-27
0.356
MAR-TRE-a9136c7b-56
0.354
MAR-TRE-8190bb11-1
0.354
MAR-TRE-a9136c7b-43
0.354
MAR-TRE-799db12b-53
0.353
MAR-TRE-66ac689e-6
0.353
MAR-TRE-92684b97-94
0.352
MAR-TRE-9d18ae8c-39
0.351
MAR-TRE-c317dd82-43
0.350
MAR-TRE-92684b97-65
0.349
MAR-TRE-4f781e27-37
0.349
MAR-TRE-66ac689e-4
0.348
MAR-TRE-92684b97-43
0.348
MAR-TRE-92684b97-23
0.348
MAR-TRE-9d18ae8c-44
0.348
MAR-TRE-a9136c7b-39
0.346
MAR-TRE-92684b97-60
0.346
MAR-TRE-a9136c7b-15
0.345
MAR-TRE-66ac689e-39
0.345
MAR-TRE-92684b97-24
0.345
MAR-TRE-a9136c7b-61
0.345
MAR-TRE-4f781e27-52
0.344
MAR-TRE-a9136c7b-99
0.344
MAR-TRE-c317dd82-98
0.342
MAR-TRE-e82e6c98-63
0.342