Fig. 9.

The pink area represents the optimal range for lipophilcity (LIPO: − 0.7 < XLOGP3 < + 5.0), size (SIZE: 150 < MW < 500), polarity (POLAR: 20 < TPSA < 130), solubility (INSOLU: logS < 6), saturation (INSATU: fraction Csp3 > 0.25) and flexibility (FLEX: num. rotatable bonds < 9). The red lines represent the said parameters of compounds 24, 29, 37 and 38. The red lines must fall completely within the pink area for a compound to be considered drug-like; therefore, compounds 24, 29, 37 and 38 are predicted not orally bioavailable