Students may experience various types of headaches, as well as stress, which can have an impact on their mental and social health as well as their academic performance. Headache is one of the most common aspects of modern life, owing to the rapid changes in human life. Students are subjected to academic stress as a result of academic tests, homework assignments, and other school requirements. Scientists are testing drugs based on medical therapies based on previous research. Many drugs, such as naproxen, flurbiprofen, fenoprofen, ketoprofen, and ibuprofen are listed in the recommendations. Topological index is a molecular descriptor that use to analyze the chemical and physical properties of chemical compounds and can be used in modeling to predict the physicochemical properties and biological activities of molecules in a quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR) studies. In this study, M-polynomial methods were used to investigate several degree-based topological indices for some drugs used for headaches (i.e., naproxen, flurbiprofen, fenoprofen, ketoprofen, and ibuprofen). Furthermore, a QSPR relationship was discovered between the various topological indices and the various physicochemical properties of these antiviral drugs. According to the obtained results, topological indices have a strong correlation with the physicochemical properties of potential drugs.