QSAR & QSPR

Lipophilic DescriptorslogP(octanol-water), logP(alkane-water), logP(chloroform-water), logP(dichloroethane/water)Octanol-water partition coefficient• Hansch-Leo method (ClogP)• Rekker's methodlog P=N∑n=1anfn+M∑m=1bmFm•Ghose-Grippen Grippen method(calculated logP based on summing contributions of atom types)•Molecular lipophilicity potential (MLP)MLP(j)=nii= 1 1+∑fdijThe MLP describe how lipophilicity is distributed all over the different dparts of amolecule(lipophilicity maps and determination of hydro and lipophilic regions ofa molecule)