Table 6.
Pharmacokinetics properties predicted by QikProp simulation.
| Lead Ligands | QP log P (o/w) a | QP log S b | QP log Kp c | % HOA in GI d | Qual HOA Model e | Lipinski’s Rule of 5 Violations f |
|---|---|---|---|---|---|---|
| DR16 | 3.496 | −4.611 | −1.500 | 100 | HIGH | 0 |
| DR16.1 | 3.527 | −6.277 | −2.656 | 88 | HIGH | 0 |
a QP log P for octanol/water. Range 95% of drugs (−2.0 – 6.5). b Predicted aqueous solubility. Log S, S in dm3 is the concentration of the solute in a saturated solution that is in equilibrium with the crystalline solid. (−6.5 to −0.5). c QP log Kp for skin permeability. Kp in cm/h (−8.0 to −1.0). d % model for Human Oral Absorption in Gastro Intestinal System. < 20% is poor. e Quality of model for Human Oral Absorption in Gastrointestinal System. > 80% in high. f Maximum is 4.