3D property

https://doi.org/10.1351/goldbook.11400

A property that is observed or calculated from a 3D representation of a molecule, which may depend on one or more conformations of the molecule.

Examples: Dipole moment, polar surface area, distances between key atoms, or the vector of electrostatic interaction energy calculated at a number of points surrounding the molecule.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 240 [Terms] [Paper]
Citation: '3D property' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11400 RIS BibTex EndNote
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