A quantitative structure activity relationship study of tumor inhibitory triazenes using bonding information content and lipophilicity

The in vivo tumor inhibitor potencies pID⁵⁰ (negative logarithm of the minimum dose to give 50% increase in life span) of 4-[3,3-substituted triazeno]benzoic acids are rationalized in terms of a newly developed information-theoretic topological index, second order bonding information content (²BIC) of the weighted graph representing the bioactive molecules and lipophilicity (log P) by the following multiparametric regression equation pID⁵⁰ = 1.8537 + 0.0827 (logP) + 4.4812 (²BIC). The results show that the steric factor associated with the skeletal molecule plays a very important role along with lipophilicity in the antitumor activity of the compounds tested and the equation may be exploited to search for the prospective antitumor analogue.