Table 8.

Computed molecular surface properties (ESP) and (ALIE) of compound

V s,min	− 41.62	${\sigma }_{+}^2$	116.01	$\overline{I}$ S, min	159.79
V s,max	48.98	${\sigma }_{-}^2$	106.73	$\overline{I}$ S, max	374.80
$\overline{V}$ S	1.10	${\sigma }_{\mathit{tot}}^2$	222.74	$\overline{I}$	252.47
${\overline{V}}_s^{+}$	15.03	ν	0.25	$\overline{I}$ S, ave	39.74
${\overline{V}}_s^{-}$	− 15.96	Π	15.37

Units: V_s,min, V_s,max, $\overline{V}$_S, ${\overline{V}}_s^{+}$, ${\overline{V}}_s^{-}$, Π, $\overline{I}$_{S, min}, $\overline{I}$_{S, max}, $\overline{I}$_S and $\overline{I}$_{S, ave} are in kcal/mol; ${\sigma }_{+}^2$, ${\sigma }_{-}^2$, ${\sigma }_{\mathit{tot}}^2$ are in (kcal/mol)²; ν is unitless