Abstract: Coumarins are polyphenolic compounds classified as colorless, crystalline oxygenated hetero- cyclic molecules. These are use used in the preparation of anti-cancer drugs. This research aims to explore the topological polynomials and indices of a series of drugs utilized in the treatment of cancer such as coumarins. A set of five degree based topological indices are considered, namely the first Zagreb index M1(G), the second Zagreb index M2(G), the second-order modified Zagreb index mM2(G), the redefined third Zagreb index ReZG3 and the forgotten index F (G) for the study. Further, the QSPR analysis revealed that the first Zagreb index is the potential topological index to predict physicochemical properties of coumarins.

Keywords: Coumarins, molecular graph, topological index, M-polynomial