dexmethylphenidate

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 4.22
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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.
J. Med. Chem.50 (11): 2718-31. [PMID:17489581]
2. Lapinsky DJ, Velagaleti R, Yarravarapu N, Liu Y, Huang Y, Surratt CK, Lever JR, Foster JD, Acharya R, Vaughan RA et al.. (2011)
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]