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. 2020 Aug 31;16(8):611–619. doi: 10.6026/97320630016611

Table 4. ADMET prediction of OXB2.

Parameter Value /Predictive result Parameter Value /Predictive result
Ames mutatest Negative HIA 96.623102
SK log S pure -1.9298 CYP3A4 substrate Weakly
SK log S buffer -1.59987 CYP3A4 inhibition Non
SK log P value 1.15268 CYP2D6 substrate Non
SK log D value 1.15268 CYP2D6 inhibition Non
Skin Permeability -4.1626 CYP2C9 inhibition Non
Pure water solubility mg/l 2894.73 CYP2C19 inhibition Non
Plasma Protein Binding 52.137421 Caco2 19.5815
Pgp inhibition Non Buffer solubility mg/l 6187.83
MDCK 17.4024 BBB 0.554267
BBB (Blood Brain Barrier): High absorption CNS >2.0, Middle absorption CNS 2.0–0.1, Low absorption CNS <0.1 Caco2: High permeability >70, Middle permeability 4–70, Low permeability >4 HIA (Human Intestinal Absorbance): Well absorbed compounds 70–100%, moderately absorbed compounds 20–70%, Poorly absorbed compounds 0–20%. PPB (Plasma Protein Binding): Strongly Bound >90%, Weakly Bound <90%, MDCK: Higher permeability >500, Medium Permeability 25–500, lower permeability >25.