All finding of various sets of TIBO derivatives are in support of utility of indicator, topological, non-conventional topological and surface area properties. This results proposed a good QSAR model and their synthesis can be done by keeping view of these parameters. All though the final idea about the synthesis of compound may come only after the complete study viz 3D QSAR, molecular docking and other computational techniques. These guidelines may therefore, provide a basis for rationalizing substituent selection in the future designing of selective TIBO receptor ligands. The study may also help in proposing the possible mode of action of TIBO.