Molecular Properties | |
SMILES: | O=C1CCc2cc(S(=O)(=O)NC(=O)c3cncnc3)c(F)cc2N1 |
MW: | 350.05 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 118.12 |
cLogP: | 0.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-TRE-92684b97-94
0.579
MAR-TRE-9d18ae8c-45
0.543
MAR-TRE-799db12b-83
0.494
MAR-TRE-8190bb11-57
0.461
MAR-TRE-4f781e27-66
0.434
MAR-TRE-c317dd82-79
0.425
MAR-TRE-a9136c7b-20
0.423
MAR-TRE-9d18ae8c-56
0.422
MAR-TRE-9d18ae8c-75
0.422
MAR-TRE-8190bb11-45
0.420
MAR-TRE-92684b97-48
0.418
MAR-TRE-799db12b-77
0.410
MAR-TRE-8190bb11-15
0.407
MAR-TRE-c317dd82-100
0.407
MAR-TRE-8190bb11-12
0.402
MAR-TRE-92684b97-42
0.400
MAR-TRE-8190bb11-1
0.400
MAR-TRE-66ac689e-63
0.398
MAR-TRE-4f781e27-63
0.398
MAR-TRE-4f781e27-3
0.395
MAR-TRE-8190bb11-37
0.395
MAR-TRE-be9ff7d2-13
0.395
MAR-TRE-66ac689e-13
0.395
MAR-TRE-92684b97-13
0.395
MAR-TRE-4f781e27-72
0.392
MAR-TRE-be9ff7d2-4
0.391
MAR-TRE-66ac689e-11
0.391
MAR-TRE-4f781e27-61
0.391
MAR-TRE-92684b97-30
0.391
MAR-TRE-799db12b-10
0.390
MAR-TRE-92684b97-69
0.390
MAR-TRE-a9136c7b-90
0.388
MAR-TRE-66ac689e-78
0.388
MAR-TRE-a9136c7b-40
0.388
MAR-TRE-92684b97-40
0.388
MAR-TRE-8190bb11-53
0.383
MAR-TRE-a9136c7b-92
0.383
MAR-TRE-4f781e27-17
0.383
MAR-TRE-92684b97-21
0.380
MAR-TRE-8190bb11-78
0.378
MAR-TRE-799db12b-81
0.375
MAR-TRE-4f781e27-97
0.375
MAR-TRE-8190bb11-19
0.375
MAR-TRE-8190bb11-84
0.373
MAR-TRE-92684b97-34
0.373
MAR-TRE-9d18ae8c-70
0.372
MAR-TRE-92684b97-33
0.371
MAR-TRE-8190bb11-29
0.370
MAR-TRE-4f781e27-15
0.369
MAR-TRE-4f781e27-54
0.369
MAR-TRE-8190bb11-77
0.369
MAR-TRE-66ac689e-6
0.365
MAR-TRE-e82e6c98-58
0.365
MAR-TRE-4f781e27-89
0.364
MAR-TRE-a9136c7b-60
0.360
MAR-TRE-799db12b-88
0.360
MAR-TRE-a9136c7b-75
0.358
MAR-TRE-66ac689e-39
0.357
MAR-TRE-9d18ae8c-25
0.357
MAR-TRE-a9136c7b-15
0.357
MAR-TRE-a9136c7b-61
0.356
MAR-TRE-4f781e27-52
0.356
MAR-TRE-e82e6c98-63
0.354
MAR-TRE-be9ff7d2-58
0.354
MAR-TRE-4f781e27-50
0.354
MAR-TRE-9d18ae8c-100
0.353
MAR-TRE-8190bb11-38
0.352
MAR-TRE-be9ff7d2-27
0.352
MAR-TRE-799db12b-22
0.352
MAR-TRE-e82e6c98-90
0.352
MAR-TRE-799db12b-42
0.352
MAR-TRE-e82e6c98-89
0.349
MAR-TRE-a9136c7b-56
0.349
MAR-TRE-66ac689e-50
0.349
MAR-TRE-92684b97-58
0.349
MAR-TRE-4f781e27-46
0.346
MAR-TRE-a9136c7b-3
0.345
MAR-TRE-c317dd82-87
0.345
MAR-TRE-c317dd82-28
0.345
MAR-TRE-92684b97-90
0.345
MAR-TRE-66ac689e-17
0.345
MAR-TRE-66ac689e-44
0.345
MAR-TRE-92684b97-23
0.344
MAR-TRE-a9136c7b-39
0.341
MAR-TRE-8190bb11-44
0.341
MAR-TRE-4f781e27-95
0.341
MAR-TRE-92684b97-60
0.341
MAR-TRE-a9136c7b-84
0.341
MAR-TRE-66ac689e-16
0.341
MAR-TRE-8190bb11-87
0.341
MAR-TRE-4f781e27-30
0.341
MAR-TRE-799db12b-30
0.341
MAR-TRE-8190bb11-32
0.337
MAR-TRE-4f781e27-62
0.337
MAR-TRE-4f781e27-87
0.337
MAR-TRE-92684b97-59
0.337
MAR-TRE-a9136c7b-88
0.337
MAR-TRE-e82e6c98-45
0.333
MAR-TRE-a9136c7b-43
0.333
MAR-TRE-9d18ae8c-47
0.333