3.5. ADMET Prediction

To estimate the drug-likeness of the compounds, in silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) prediction was carried out [23]. We investigated the ADMET properties of the 30 selected compounds using the ADMET Protocol in the Discovery Studio 2.5 software package (Accelrys, San Diego, CA, USA). These studies were solely based on the chemical structure of the molecule. Some of the parameters that were calculated included Atom-based Log P98 (ALogP98), ADME 2D Fast Polar Surface Area (ADME 2D FPSA), Blood Brain Barrier (BBB), Cytochrome P4502D6 (CYP2D6), and Hepatotoxicity (HEPATOX).