3D property

Term · Chemistry · MLC-T-CHM-000016

A molecular descriptor that depends on the three-dimensional coordinates of the atoms in a molecule, reflecting its spatial arrangement or conformation. These properties are calculated from a specific 3D structure and can change if the molecular conformation changes. Examples include molecular volume, solvent-accessible surface area, and dipole moment, which contrast with 2D properties derived solely from the molecular graph.

Table 1. Record
Identifier	MLC-T-CHM-000016
Field	Chemistry
Subject	Chemistry and Human Health
References	PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)
See also	Polar surface area

Record as JSON

{
  "id": "MLC-T-CHM-000016",
  "term": "3D property",
  "field": "Chemistry",
  "definition": "A molecular descriptor that depends on the three-dimensional coordinates of the atoms in a molecule, reflecting its spatial arrangement or conformation. These properties are calculated from a specific 3D structure and can change if the molecular conformation changes. Examples include molecular volume, solvent-accessible surface area, and dipole moment, which contrast with 2D properties derived solely from the molecular graph.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "polar surface area"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/3d-property/"
}

Record 16 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.