Question: Draw your assigned compound in ChemDraw Use Show Analysis Window and Show Chemical Properties Window in View drop-down menu to calculate MW, clogP and PSA.


Draw your assigned compound in ChemDraw Use "Show Analysis Window" and "Show Chemical Properties Window" in "View" drop-down menu to calculate MW, clogP and PSA. Visually determine # of H bond donors and acceptors Fill in the table below with your data Use the completed table to answer assignment questions about all four compounds Compound MC1 MC2 MC3 MC4 MW (mass) 309 570 384 314 # H-bond donor 1 6 4 2 sites # H-bond acceptor 2 10 8 7 sites Clogp 4.57 0.72 0.78 0.67 IPSA 21 160 123 88 logBBB 0.59 -1.45 -1.02 -0.62 1. Which compound(s) are predicted to be more soluble in water than octanol? Explain your answer. 2. Which compound(s) violate Lipinski's rule of 5. Which rule(s)? 3. Predict intestinal absorption for each compound based on Egan's egg (good, moderate, poor, very poor) 4. Which compound(s) would you expect to be orally bioavailable based on these prediction tools? Are there any features or functional groups that might be problematic? Which of these molecules is most likely to enter the brain
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