Length perpendicular to maximum area

To

The Administrator,

Marvin Team

Dear Sir/ Madam,

I would like to request you to kindly share the interpretation of the geometric descriptor "Length perpendicular to maximum area". I would additionally like to request you to state if this parameter has certain relationship with the solubility of chemicals in organic solvents.

Thanking you !

Regrads,

Rudra 

Dear Rudra, 

the length you are asking is the maximal extension of the input conformer to the maximal projection area calculated, so it measures how far the molecule "sticks out" from the plane defined by its projection area.

I don't think that this descriptor has direct relation to the solubility. SASA (solvent accessible surface area) would rather have direct relation to the solubility by its pure definition.

The following link gives you detailed information on our Geometry Plugin:

http://www.chemaxon.com/marvin/help/calculations/geometrygroup.html

I would also advise you to check out our new Solubility Plugin in case you are interested in predicting acqeous solubility for organic molecules:

http://www.chemaxon.com/marvin/help/calculations/solubility.html

I hope this helps.

Daniel