Naphthalene is an aromatic compound that contain two fused benzene rings. Naphthalene derivatives has diverse biological activities and gained attention as potential therapeutic agents. In this study we applied Insilco drug design techniques to evaluate pharmacokinetic properties, biological activities and binding affinity of 2-(bromomethyl) naphthalene, 8-amino-2-naphthol and acenaphthalene. The molecular structures were created by using King Draw, followed by the prediction of key pharmacokinetic parameters (solubility, permeability, toxicity, etc.) using Swiss ADME. Biological activity predictions were performed with pass online, which identified potential activity (anticancer) of derivatives. To assess the binding potential of derivatives molecular docking were performed with One-dock, reveals strong binding affinity of compounds. Among these 2-(bromomethyl)naphthalene exhibit more anticancer activity.