Subject: Theoretical Log P values

From: Mahmood Chamankhah <[email-masked]>
Date: Mon, 10 Oct 1994 17:31:59 -0600 (CST)

Hi everybody;

I've seen a couple of questions about how to calculate Log P values. 
2 Questions:

1) Has the Reckker's method of calculating log P values been integrated 
in a software?
 
2) Recently we tried to calculate Log P values for a series of compounds 
which are substituted phenyl ring conjugated to a double bond using 
Reckker's f values (f values are tabulated in Reckker's book, hopefully 
those who are interested have seen the book). We would like to know if 
there are substituents in ortho, meta and para positions of this system, 
would it affect the calculated lipophilicity of the whole molecule or 
not, because there is no direct explanation in the book regarding such 
effects and how to include it.

I appreciate any comments about the above problem specially from those 
who are using log P values (calculated or observed) routinely in their 
QSAR analysis.
 
Yours all

M.Chamankhah
Canada