These particular settings for the λ path led to the same qualitative assessments of which challenge molecule had increased thermodynamic stability in their respective solvents, indicating that the MM methods are qualitatively consistent with the more quantitatively accurate QM methods. Note that the distributions are not symmetric since the extracted structures were generated in each solvent. As shown in Figure for 14, the three clusters were centered at -44±7, 0±7, and 43±7 logPtol/w units and were weighted at 0.128, 0.720, and 0.152, respectively, when computing the weighted average. The standard deviation of ±7 for these clusters indicate how significantly the rotational flexibility of these molecules effect on the relative stability and favorability in a particular solvent. The seemingly unphysical range of calculated logP values can be accounted for by the choice of method (B97-3c), which relies on semiempirical corrections to achieve lower errors for thermodynamic properties of molecules. Using 14 as an example, the near-symmetry of the trimodal distribution led to an effective error cancellation when treated as a linear combination weighted based on population. The weighting of all the distributions used for the Mixed submission is shown in Table . Based on the results in Table and the presence of multiple distinct distributions for 1, 11, 14, and 15, there is no conclusive trend between the presence of multiple near-symmetric distributions and a quantitative accuracy for logPtol/w. These distributions also suggest that there are both structural and electronic features of the challenge molecules that increases the hydrophilic or lipophilic properties.