How do the physicochemical properties of CGA and CA influence their drug-likeness?

Label:chem

Topic
Compliance with Lipinski’s Rule of Five and related metrics correlates with developability and membrane permeability.
Answer
CGA possesses 9 H-bond acceptors, 6 donors, TPSA 165 Ų and 25 heavy atoms, indicating high polarity and limited membrane permeability yet good target selectivity. CA has 1 acceptor, 0 donors, TPSA 17 Ų and 10 heavy atoms, conferring lipophilicity, better membrane penetration and potential CNS exposure. Both meet rotatable-bond (<10) and heavy-atom (<36) criteria, supporting favorable ligand efficiency and flexibility for binding PI3K/Akt proteins.
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