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propertieschemaxon [2012/10/11 22:45] – rkisspropertieschemaxon [2012/10/14 11:25] – rkiss
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 ====== ChemAxon properties ====== ====== ChemAxon properties ======
  
-ChemAxon’s widely used Calculator Plugins have been developed and optimized for many years and the calculated physicochemical properties show good correlation with experimental results.+[[http://www.chemaxon.com|ChemAxon’s]] widely used [[https://www.chemaxon.com/products/calculator-plugins|Calculator Plugins]] have been developed and optimized for many years and the calculated physicochemical properties show good correlation with experimental results.
  
-To get access to ChemAxon properties, subscribe to ChemAxon Properties Access (link). Note that the Access package option is free for academic users.+To get access to ChemAxon properties, [[subscriptionpackages|subscribe]] to ChemAxon Properties Access. Note that the Access package option is free for academic users.
  
-More information about ChemAxon Calculator Plugins: +You can find more information about ChemAxon Calculator Plugins **[[http://www.chemaxon.com/marvin/help/calculations/calculator-plugins.html|here]]**
-http://www.chemaxon.com/marvin/help/calculations/calculator-plugins.html+
  
 **logP:** Logarithm of the octanol/water partition coefficient **logP:** Logarithm of the octanol/water partition coefficient
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 **H-bond donors:** Number of hydrogen bond donor atoms **H-bond donors:** Number of hydrogen bond donor atoms
  
-**H-bond donors (at pH=7.4):** Number of hydrogen bond donor atoms of the major microspecies at pH=7.4”+**H-bond donors (at pH=7.4):** Number of hydrogen bond donor atoms of the major microspecies at pH=7.4
  
 **H-bond donor sites:** Number of hydrogen bond donor sites **H-bond donor sites:** Number of hydrogen bond donor sites
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 **Resonants:** Number of resonance structures **Resonants:** Number of resonance structures
  
-**RO5 violations (at pH=7.4):** Number of rule-of-five (Lipinski) violations of the major microspecies at pH=7.4+**RO5 violations (at pH=7.4):** Number of [[http://en.wikipedia.org/wiki/Rule_of_five|rule-of-five]] violations of the major microspecies at pH=7.4
  
-**RO5 violations:** Number of rule-of-five (Lipinski) violations+**RO5 violations:** Number of [[http://en.wikipedia.org/wiki/Rule_of_five|rule-of-five]] violations
  
-**RO3 violations (at pH=7.4):** Number of rule-of-three (Astex) violations of the major microspecies at pH=7.4+**RO3 violations (at pH=7.4):** Number of [[http://www.nature.com/nrd/journal/v3/n8/box/nrd1467_BX1.html|rule-of-three]] violations of the major microspecies at pH=7.4
  
-**RO3 violations:** Number of rule-of-three (Astex) violations+**RO3 violations:** Number of [[http://www.nature.com/nrd/journal/v3/n8/box/nrd1467_BX1.html|rule-of-three]] violations