Molecular structure and properties [MPHAB286]

Learning outcomes

At the end of the teaching activities, the student will have acquired the different notions that will allow him/her to

• make links between the structure of compounds and UV, IR and NMR spectral properties;
• make links between the structure of compounds and potential non-covalent bonds;
• make the links between the structure of compounds and acid/base properties;
• make the links between the structure of the compounds and the solubility properties;
• make the links between the structure of the compounds and the lipophilic properties;
• understand certain descriptors such as log P, PSA and certain rules of thumb (Lipinski);
• to make the links between the structure of compounds and the stability of molecules;
• to make the lings between the structure and the pharmacokinetics.

Objectives

The objective of this course is to associate, for a given molecule, its chemical structure with its properties and in particular, spectral, physicochemical (solubility, lipophilicity), acid/base, non-covalent interactions, stabilities and pharmacokinetics properties.

Content

Part I: Molecular structure

• Functional groups and heterocycles
• Chemical structure: isomerism and equilibrium
• Non-covalent interactions

Part II: Properties

• spectral
• acid/base properties
• lipophilicity
• pharmacokinetics

Table of contents

Part I: Molecular structure

• Functional groups and heterocycles
• Chemical structure: isomerism and equilibrium
• Non-covalent interactions 

Part II: Properties

• spectral 
• acid/base properties 
• lipophilicity
• pharmacokinetics

Exercises description

Tutorial sessions are devoted to solving and explaining exercises and problems from the various chapters of the course.