TABLE 2.

List of 10 best hit drugs like compounds obtained from in silico screening of libraries using Computer Aided Drug Designing Approach, Glide Score, and i-silico ADMET screening of the selected compounds

^aPredicted central nervous system activity from −2 (inactive) to +2 (active). ^bPrediction of drug likeliness (acceptable range: 0-4 violation). ^c Total Solvent Accessible Surface Area: SASA (acceptable range: 300–1000). ^dPredicted octanol/water partition coefficient (acceptable range: −2–6.5). ^ePredicted aqueous solubility, S in mol/dm³ (acceptable range: −6.5–0.5). ^fPredicted brain/blood partition coefficient (acceptable range: -3.0–1.2). ^gPredicted percentage human oral absorption (<25% is poor and >80% is high).