Size and Lipophilicity Efficiency Assessment

LLEat values show no size dependency. This shows that despite increase in size, the specific interactions between compound and receptor are still utilized effectively. The slight increase in LLE with increasing potency indicates that potency improvements are not brought about by the increase in clogP. In other words, there was no strong correlation between potency and lipophilicity increase (leading edge [49]). LE and FQ values confirm that potency contribution per atom remained constant with increase in size. Since most of the compounds showed no effect in the counterscreen, this cluster was considered for expansion. 

This leads to the conclusion that increasing the size of the compounds might result in the discovery of full agonists. 

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