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Plot of pIC50 against sum of dynamic volumes of N-substituent and anilide’s aromatic: A) without 4-axially substituted derivatives, B) for 4-axially substituted derivatives. Volume data are collected from last 10 ns of production in 3 replicas. Chiral compounds excluded. pIC50 value for F08 (a point in brackets) arbitrary (experimental pIC50 < 6.0).
