The molecular shape is an attribute of a molecule dealing with spatial extension, form, framework, or geometry. It is often described by,
e.g., principal axes, ovality, or connectivity indices.
Source:
PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1147 (https://doi.org/10.1351/pac199769051137)