Figure 2
From: PubChem3D: Shape compatibility filtering using molecular shape quadrupoles
Quadrupole distribution. The frequency of occurance of the three quadrupole moment components for 17.1 million molecules from the PubChem Compound database, where (a) Q x , (b) Q y , and (c) Q z were binned into units of 2.5 Å5, 0.5 Å5, and 0.1 Å5, respectively.