The bioavailability of the lead compounds was examined with the help of Lipinski’s rule of five (Lipinski et al. 1997). The molecular properties such as logP (partition coefficient), molecular weight (MW), or counts of hydrogen bond acceptors and donors in a molecule were utilized in formulating ‘‘rule of five’’ (Ertl et al. 2000). The rule states that most molecules with good membrane permeability should have molecular weight ≤500, calculated octanol–water partition coefficient, log P ≤ 5, hydrogen bond donors ≤5, acceptors ≤10 and van der Waals bumps polar surface area (PSA) <120 Å2 (Muegge 2003). In the present study, all the molecular properties for all the lead compounds were estimated by using Molinspiration program (http://www.molinspiration.com/cgi-bin/properties) (Buntrock 2002). Toxicity is the second important parameter need to be considered in the analysis of lead compounds. Infact, toxicity will account the failure of majority of the lead cases. In the present study, toxicity of the lead compound examined with the help of OSIRIS program (http://www.organic-chemistry.org/prog/peo/). The program was also helpful to evaluate the drug likeliness and drug score of the lead compounds. Nearly 5300 distinct substructure fragments created by 3300 traded drugs as well as 15,000 commercially available chemicals yielding a complete list of all available fragments with the associated drug likeliness. The drug score consolidates drug-likeliness, cLogP, logS, molecular weight, and toxicity risks. It is a total value which may be used to judge the compound’s overall potential to qualify for a drug.