Ligand id: 7554

Name: dexmethylphenidate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 38.33
Molecular weight 233.14
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kim DI, Deutsch HM, Ye X, Schweri MM. (2007)
Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.
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Azido-iodo-N-benzyl derivatives of threo-methylphenidate (Ritalin, Concerta): Rational design, synthesis, pharmacological evaluation, and dopamine transporter photoaffinity labeling.
Bioorg. Med. Chem., 19 (1): 504-12. [PMID:21129986]