Ligand id: 7477

Name: tapentadol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 221.18
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Singh DR, Nag K, Shetti AN, Krishnaveni N. (2013)
Tapentadol hydrochloride: A novel analgesic.
Saudi J Anaesth, 7 (3): 322-326. [PMID:24015138]
2. Tzschentke TM, Christoph T, K√∂gel B, Schiene K, Hennies HH, Englberger W, Haurand M, Jahnel U, Cremers TI, Friderichs E et al.. (2007)
(-)-(1R,2R)-3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol hydrochloride (tapentadol HCl): a novel mu-opioid receptor agonist/norepinephrine reuptake inhibitor with broad-spectrum analgesic properties.
J. Pharmacol. Exp. Ther., 323 (1): 265-76. [PMID:17656655]