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.
Predicted ADME properties of compounds 4b, 4f, and 4m.
| Property | 4b | 4f | 4m |
|---|---|---|---|
| Formula | C15H8ClN3O | C15H7F2N3O | C20H18N4O2 |
| Molecular Weight (g/mol) | 281.70 | 283.23 | 346.38 |
| Heavy Atoms | 20 | 21 | 26 |
| Fraction Csp3 | 0.00 | 0.00 | 0.25 |
| Rotatable bonds | 0 | 0 | 2 |
| H-bond Acceptors | 4 | 6 | 6 |
| H-bond Donors | 1 | 1 | 1 |
| Molar Refractivity | 77.41 | 72.32 | 102.38 |
| Topological Polar Surface Area (tPSA, Å2) | 58.37 | 58.37 | 70.84 |
| Lipophilicity (Consensus Log Po/w) | 3.08 | 3.16 | 2.39 |
| BBB Permeation | Yes | Yes | Yes |
