Limits of rapid log P determination methods for highly lipophilic and flexible compounds

Lipophilicity as a Central Component of Drug-Like Properties of Chalchones and Flavonoid Derivatives

“…Lipophilicity of a drug molecule is of particular importance due to its impact on the metabolism, pharmacokinetics, pharmacodynamics, and molecular toxicity of molecules. It correlates with the absorption, distribution, metabolism, excretion, and molecule toxicology (ADMET) processes [11,12,13,14,15,16].…”

Fundamental Investigation on Osmotic Pressure and Phase Behavior of Novel pH-Responsive Draw Solute with Imine-Based Dynamic Covalent Chemistry

“…Table shows the water–octanol partition coefficients (log P ) of the amines, aldehydes, and produced imines calculated using ChemDraw ver. 19.0. , A larger log P value indicates greater hydrophobicity. As shown in Table , the log P values of all amines and 2-pyridinecarboxyaldehyde used in this study were low and formed a homogeneous aqueous solution when these solutes were individually mixed with water.…”

Machine Learning Prediction of Flavonoid Cocrystal Formation Combined with Experimental Validation

“…Among these features, nHBa and nHBd represent the counts of E-states for (strong) hydrogen-bond acceptors and donors and are directly related to hydrogen bond formation. Also, ALogP stands for partition coefficient (Log K ow ), which is affected by several basic properties of the compound, mainly molecular volume, dipole moment, hydrogen bond acidity, and hydrogen bond alkalinity. − Therefore, it is not difficult to see that several molecular descriptors that have a great influence on the flavonoid cocrystal screening model are directly or indirectly related to hydrogen bonds.…”