EL,M T P energy values are relatively insignificant (from -5 to 1 kcal/mol). We may also note that increasing the size of the substituent at either the meta or the para position is favorable for the inhibitor-receptor interaction energy. However, increasing the substituent size too much may also result in steric clashes, which are not entirely accounted for by the MED model due to the omission of the short-range interaction energy terms (in particular, the exchange repulsion energy E