Central nervous system (CNS) is largely inaccessible to drug molecules due to the presence of blood brain barrier (BBB). Existence of BBB is regarded as the single largest bottle neck in developing neuro therapeutic agents. Despite the rising incidence of CNS ailments, the rate of discovery of drugs acting on the nervous system is low. The conventional approach to drug design deems them to be singleton molecules. The present study tests the concept of drugs being designed as two molecules which cross blood brain barrier independently and assemble inside CNS into an active entity through directed hydrogen bonding. Two ligands L1 and L2 were designed such that they could form mutual hydrogen bonds. The ability of ligands to cross BBB, as well as the formation of hydrogen bonds between them were tested in silico using appropriate tools/softwares. Results of in silico tests points to the possibility that drugs targeting brain may indeed be designed as two molecules.