Each year a large number of new diseases were found worldwide, which requires the development of new drugs to cure these diseases. In this process, researchers need to do a lot of work to test the effectiveness of new drugs and side effects. Due to the intrinsic connection between the characteristics of compound and its molecular structure, methods of pharmaceutical theory are widely used in the analysis of the features of the drug. By calculating the chemical indices of drug molecular structure, scientists could learn the chemistry and pharmacy characteristics of the corresponding drugs. In this paper, from the theoretical perspective, we state the following conclusions: (1) the exact expression of generalized degree distance for starlike tree is determined; (2) the eccentricity related indices of hetrofunctional dendrimer are discussed. The results obtained have broad application prospects in the pharmaceutical sciences.