Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Physicochemical properties used as filters for narrowing down the selection of candidate molecules.
| Property | Range | Description |
|---|---|---|
| Log D | −1 < log D < 4 | Solubility and potential oral dosing |
| MPO | 3 < MPO < 6 | Multiple combinations of drug-likeness factors |
| Muegge Filter | True | Multiple combinations of drug-likeness factors |
| PAINS | Remove compounds with PAINS substructure | Structural features that lead to promiscuous signals in experimental assays |
| TPSA | < 120 | Cellular uptake |
