Molecular lipophilicity (LogP) is influenced by specific atomic contributions and conformations.
the verdict
SUPPORTED
the evidence backs this
confidence 79/100
Molecular lipophilicity (LogP) is heavily dictated by specific atomic substitutions and conformational dynamics.
Evidence for · 3
Halogen-Containing Drugs in 2025: A Record Year for the Therapeutic Use and Synthesis of FDA-Approved Small Molecules.
2026 · cited by 3
The incorporation of specific halogen substituents significantly influences molecular lipophilicity and related physicochemical properties.
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More for · 2
Solvation Free Energies of Drug-like Molecules via Fast Growth in an Explicit Solvent: Assessment of the AM1-BCC, RESP/HF/6-31G*, RESP-QM/MM, and ABCG2 Fixed-Charge Approaches.
2025 · cited by 1
Solvation free energy calculations demonstrate how specific atomic charge assignments and functional group distributions directly impact partitioning behavior.
Toward the Engineering of Chameleonicity: Quantum Mechanical Prediction for the Octanol/Water Distributions of Large Flexible Triazine Macrocycles.
2026 · cited by 0
Accounting for environment-dependent conformational changes and intramolecular hydrogen bonding is essential for accurately predicting logP and logD in flexible macrocycles.