The rapid progress of chemical flooding in recent years has imposed increasingly higher demands on the interface properties of surfactants. In this study, through analysis of interface properties, we investigated the influence of chain length and position of PO and EO chains on the surface activity of surfactants. It was observed that when the chain length was 10, both PO and EO chains exhibited the lowest interfacial tension. Principal component analysis was employed to reduce dimensionality for Rg (radius of gyration), tilt angle, and hydrogen bond parameters. Ultimately, it was found that Rg-PO, Rg-EO, and H-bond exerted significant influence on interfacial tension with decreasing weights successively. The correlation between tilt angle and its impact on interfacial tension was lower compared to these three factors mentioned above. Therefore, when designing surfactant structures, it is crucial to reasonably match the lengths of PO and EO chains.