Technical Support Forum Index
Technical Support Forum
Access ChemAxon scientists and developers here. For registration and login issues contact website support.

Support Ticket System is replacing forum

This forum was converted into a searchable archive. You cannot add posts here any more. For support please use our new Ticket System.

Create your first ticket
logP calculation of SRU groups
To watch this topic for replies  Register (enables digests) or give email address:
This topic is locked: you cannot edit posts or make replies.
Display posts from previous:   
    View previous topic :: View next topic    
Author Message
TRAN-MINH

Joined: 13 Oct 2005
Posts: 277

View user's profile

Back to top
Link to postPosted: Mon May 17, 2010 1:15 pmPost subject: logP calculation of SRU groups Reply with quote

Dear support,

 

cxcalc doesn't return  the logP calculation of SRU groups : see molfile 

the warning is :   Calculation result is not defined for molecules with SRU S-groups.

Is it normal and how could I do it?

Zsolt
ChemAxon personnel
Joined: 11 Jan 2006
Posts: 1159

View user's profile

Back to top
Link to postPosted: Mon May 17, 2010 1:59 pmPost subject: Reply with quote

It is normal, for structures containing SRU sgroups logP cannot be calculated. SRU sgroups represent repeating units, so exact molecule with exact logP cannot be assigned to such structures.

Zsolt

This topic is locked: you cannot edit posts or make replies.
Page 1 of 1


To watch this topic for replies   Register (enables digests) or give email address  
Jump to:  
You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot vote in polls in this forum
You cannot attach files in this forum
You cannot download files in this forum