How do you calculate lipophilicity?

The final equation for calculation of the lipophilicity was Rm0 = 0.5718 Log P + 0.3262 (|r| = 0.9963). The Rm0 and values for the compounds with the known lipophilicity are listed in Table 2.

What is log D value of a drug?

Log D is a distribution coefficient widely used to measure the lipophilicity of ionizable compounds, where the partition is a function of the pH. For non-ionizable compounds Log P = Log D throughout pH range, whereas for ionizable compounds Log D takes into account the partition of both ionized and non-ionized forms.

How is LogP calculated?

The logP value is a constant defined in the following manner: LogP = log10 (Partition Coefficient) Partition Coefficient, P = [organic]/[aqueous] Where [ ] indicates the concentration of solute in the organic and aqueous partition.

Why do we use octanol in partition coefficient?

Octanol/water partition coefficient is very important index in Biological,toxicological and environmental area. The human body is made from water and lipids. If you know the distribution ratio of the chemicals to the octanol, you can estiamte bio accumulations.

What is lipophilic nature?

From Wikipedia, the free encyclopedia. Lipophilicity (from Greek λίπος “fat” and φίλος “friendly”), refers to the ability of a chemical compound to dissolve in fats, oils, lipids, and non-polar solvents such as hexane or toluene.

What is a good logD value?

LogP is widely used in cheminformatics and is a component of the Lipinski’s “rule of five”, that is a golden standard to evaluate a drug-likeness of a compound. According to this rule, the successful drug candidate should possess LogP value not greater than 5.

What does a low logD mean?

Negative values of logD (-1.44 to 0) in the physiologically relevant pH range (pH 1–8) lead us to conclude that this compound would be more susceptible to higher aqueous solubility and of lower lipophilicity in the body. As a result we would expect membrane permeability to be poor.

Is 1-octanol polar or nonpolar?

nonpolar
The molecule has many more nonpolar bonds than polar bonds, so overall the molecule is considered as nonpolar (or only very slightly polar). For 1-octanol ε = 10 (nonpolar). The biological properties of lipids can be understood due to their overall nonpolar nature.

What does a low Logkow mean?

Chemicals with low Kow values (e.g., less than 10) may be considered relatively hydrophilic; they tend to have high water solubilities, small soil/sediment adsorption coefficients, and small bioconcentration factors for aquatic life.