Table 2 Mean values and percentage compliances of selected ADMET-related descriptors for 511 anti-malarial compounds from African medicinal plants
Propertya | Mean value | Percentage compliance |
|---|---|---|
log B/B | −1.0 | 93.3 |
BIPCaco-2 (nm s−1) | 1,139.0 | 14.1 |
Smol (Å2) | 641.5 | 95.1 |
Smol, hfob (Å2) | 350.0 | 95.5 |
Vmol (Å3) | 1,202.3 | 94.5 |
log Swat (S in mol L−1) | −4.3 | 79.3 |
log KHSA | 0.3 | 83.6 |
MDCK | 627.8 | 54.0 |
Indcoh | 0.012 | 95.3 |
Glob | 0.9 | 92.8 |
QPpolz | 39.6 | 94.1 |
logHERG | −4.6 | 57.3 |
log Kp | −3.2 | 93.3 |
#metab | 5.4 | 84.5 |