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. 2021 Jul 22;1246:131165. doi: 10.1016/j.molstruc.2021.131165

Table 7.

ADMET Factors.

ADMET Factors DPDS
Absorption Water solubility (log mol/L) -2.987
Caco-2 permeability (log Papp in 10−6cm/s) 0.909
Human intestinal absorption (%) 98.692
P-glycoprotein substrate YES
P-glycoprotein I/II inhibitors NO
Distribution CNS permeability (log PS) -2.426
Human VDss (log L/kg) -2.018
Fraction unbound (human)(Fu) 0.307
Metabolism CYP substrates/inhibitors NO
Excretion Total clearance (log ml/min/kg) 0.2
Toxicity AMES toxicity NO
Max. tolerated dose (human)(log mg/Kg/day) 1.177
Oral rat Acute Toxicity (LD50)(mol/kg) 2.651
hERG l/ll inhibitors NO
Hepatotoxicity NO