Computer aided drug design can facilitate the rapid development of new drugs , . A wide variety of ligand based and structure based drug design methods are available, and newer and more efficient methods are being developed . In addition, computational methods for assessment of the adverse effects of designed drugs are available . A new class of generative methods are being developed for the design the drugs with desired distribution of physico-chemical properties . Several novel methods have also been described for the generation of molecules with a specified distribution of physico-chemical and ADME properties, as well as the ability to bind to specified targets . However, development of drugs for CNS targets is a difficult process, because most small molecules are prevented from reaching the CNS targets by the Blood-Brain-Barrier (BBB) . The potential of drugs to cross the BBB can be assessed computationally by predicting their LogBB or logCSF scores . The blood brain barrier partition coefficient, LogBB, is the log of the ratio of concentration of a molecule in the brain to its concentration in plasma . LogCSF is the corresponding ratio for cerebrospinal fluid.