Table 2.

Predicted ADMET profile of hesperidin and Grazoprevir.

Descriptor	Hesperidin	Grazoprevir
Molecular weight (g/mol)	610.56	766.90
Number of rotatable bonds	7	9
Number of H-bond donors	8	3
Number of H-bond acceptors	15	12
Log P	−0.72	4.142
Gastrointestinal absorption	Low	Low
BBB permeability	No	No
Substrate of P-gp	Yes	Yes
CYP1A2 inhibitor	No	No
CYP2C19 inhibitor	No	No
CYP2C9 inhibitor	No	No
CYP2D6 inhibitor	No	No
CYP3A4 inhibitor	No	No
Bioavailability score	0.17	0.17
Log CLtot (mL/min/kg)	0.211	–
MRTD (mg/day)	424	355
Hepatotoxicity	No	No
Ames toxicity	No	No
hERG channel inhibition	Yes	Yes