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. Author manuscript; available in PMC: 2024 Oct 1.
Published in final edited form as: Drug Discov Today. 2023 Aug 1;28(10):103730. doi: 10.1016/j.drudis.2023.103730

FIGURE 2. Key structural features considered in small molecule drug design.

FIGURE 2

These features include functional groups (e.g., hydroxyl, carboxyl, and amino groups) that give drugs specific pharmacological properties, stereochemistry that can affect a drug’s interaction with biological targets, molecular weight, size and shape that impact pharmacokinetics and pharmacodynamics, and specific chemical bonds and electrostatic properties that influence a drug’s physical and chemical properties. Understanding these features is crucial for designing effective small molecule drugs with desired pharmacological properties.