Table 1.
Compounds | cLogP | TPSA | M.Wt. | HBD | HBA | logBB |
---|---|---|---|---|---|---|
HL1 | 4.08 | 103.67 | 294.27 | 1 | 7 | −0.775 |
HL2 | 3.32 | 111.01 | 259.22 | 2 | 7 | −0.999 |
Lipinski rulesa | 5 | 90 | 500 | 5 | 10 | >0.3 to 1.0 |
MW: molecular weight; clogP: calculated octanol-water partition coefficient; HBD: hydrogen-bond donor atoms; HBA: hydrogen-bond acceptor atoms; PSA: polar surface area. (Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Adv. Drug Delivery Rev. 1997, 23, 3–25; Clark, D. E.; Pickett, S. D. Drug Disc. Today 2000, 5, 49–58).