3.5. In Silico ADMET Prediction

Computational study of the synthesized compounds 6a–j was performed for prediction of ADMET properties. The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of all the compounds were predicted using software FAFDrugs2. In the present study, molecular weight (M.W.) was calculated. Octanol–water partition coefficient (log Po/w), number of hydrogen bond acceptors (n-ON), number of hydrogen bonds donors (n-OHNH), percentage human oral absorption (% ABS), and Van der Waals surface area of polar nitrogen and oxygen atoms (Polar Surface Area) were also predicted.