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 of hit compounds.
| Compound | MW (g/mol) | Lipinski’s rule of five | PAINS | Lipophilicity | TPSA (Å2) | Synthetic accessibility | Water solubility | Bioavailability score | BBB Permeation | Skin permeability (cm/s) |
| Compound 1066 | 462.48 | 0 violations | 0 alerts | 0.07 | 187.51 | 4.69 | Soluble | 0.55 | No | −8.91 |
| Compound 1084 | 513 | 1 violation | 0 alerts | 1.33 | 181.72 | 4.84 | Moderately soluble | 0.17 | No | −8.10 |
