Topological polar surface area

{
  "id": "MLC-T-CHM-012116",
  "term": "Topological polar surface area",
  "field": "Chemistry",
  "definition": "The sum of the surface areas of all polar atoms (oxygen, nitrogen, and attached hydrogen atoms) in a molecule, calculated from its two-dimensional structure. This metric is used in computational drug design to predict a molecule's passive molecular transport through membranes, such as the blood-brain barrier. A lower topological polar surface area generally correlates with better cell membrane permeability.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "2D structure",
    "polar surface area"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 258 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/topological-polar-surface-area/"
}