methylphenidate

Ligand id: 7236

Name: methylphenidate

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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. Froimowitz M, Gu Y, Dakin LA, Nagafuji PM, Kelley CJ, Parrish D, Deschamps JR, Janowsky A. (2007)
Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter.
J. Med. Chem.50 (2): 219-32. [PMID:17228864]