It has to be noted, that with decreasing pore diameter less PPCPs could be inserted into the pores, so less PPCP-zeolite IEs contribute to the average IEs of the narrower pore zeolite. The 12 MR ring zeolite frameworks exhibit the largest increase in IE (more negative interaction energy) relative to the FAU framework. Among these, the MTW framework shows the strongest increase, especially when only considering the flexible molecules. Since a significant part of the rigid molecules are hormones with structures similar to EST, the most pronounced increase in interaction energy for the rigid molecules is observed in the elliptic pore channels of the DON and the MOR framework, while IFR imposes deformation penalties on the flat rigid structures.