descriptor

in computational drug design
https://doi.org/10.1351/goldbook.11436
A qualitative or quantitative property of a molecule or a part of a molecule.
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 245 (https://doi.org/10.1515/pac-2012-1204)