User 247a2c5018
06-04-2009 09:21:53
Dear support,
I have 2 same structures but the LogP calculated is different :
test5.mol : 1.038
Copie(2) de test5.mol : 1.037
Why
User 247a2c5018
06-04-2009 09:21:53
Dear support,
I have 2 same structures but the LogP calculated is different :
test5.mol : 1.038
Copie(2) de test5.mol : 1.037
Why
User 247a2c5018
06-04-2009 09:25:09
I forget to mention that I use cxcalc because with your calculator plugin (online try) I find the same logP : 1.236?
ChemAxon e08c317633
06-04-2009 09:39:18
I get 1.236 for both molecules with cxcalc (Marvin 5.2 version).
$ cxcalc logp test5.mol -p 3
id logP
1 1.236
$ cxcalc logp "Copie (2) de test5.mol" -p 3
id logP
1 1.236
What is the exact command you use?
Zsolt
User 247a2c5018
06-04-2009 11:06:01
cxcalc -N hi logp -M test5.mol -p 3
I have marvinbeans 5.1.2
User 247a2c5018
06-04-2009 11:16:09
Ok I find 1.236 with Marvin 5.2 for the 2 compounds