Rule of three
Term · Chemistry · MLC-T-CHM-010453
A set of guidelines used in fragment-based lead discovery to define a chemical fragment suitable for screening against a biological target. These criteria state that a fragment should have a molecular weight less than 300 daltons, a maximum of three hydrogen bond donors, and a maximum of three hydrogen bond acceptors. The calculated logarithm of the octanol-water partition coefficient (cLogP) should also be less than or equal to three.
| Identifier | MLC-T-CHM-010453 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| References | PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1750 (https://doi.org/10.1351/PAC-REC-12-11-23) |
| See also | Fragment-based lead discovery; Fragment; Hit; Lead; Molecular descriptor |
Record as JSON
{
"id": "MLC-T-CHM-010453",
"term": "Rule of three",
"field": "Chemistry",
"definition": "A set of guidelines used in fragment-based lead discovery to define a chemical fragment suitable for screening against a biological target. These criteria state that a fragment should have a molecular weight less than 300 daltons, a maximum of three hydrogen bond donors, and a maximum of three hydrogen bond acceptors. The calculated logarithm of the octanol-water partition coefficient (cLogP) should also be less than or equal to three.",
"subject": "Chemistry and Human Health",
"see_also": [
"fragment-based lead discovery",
"fragment",
"hit",
"lead",
"molecular descriptor"
],
"references": [
"PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1750 (https://doi.org/10.1351/PAC-REC-12-11-23)"
],
"url": "https://mlchart.com/terminology/chemistry/rule-of-three/"
}
Record 11,117 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.