fentanyl

Ligand id: 1626

Name: fentanyl

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 23.55
Molecular weight 336.22
XLogP 6.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Raynor K, Kong H, Chen Y, Yasuda K, Yu L, Bell GI, Reisine T. (1994)
Pharmacological characterization of the cloned kappa-, delta-, and mu-opioid receptors.
Mol Pharmacol45: 330-334. [PMID:8114680]
2. Toll L, Berzetei-Gurske IP, Polgar WE, Brandt SR, Adapa ID, Rodriguez L, Schwartz RW, Haggart D, O'Brien A, White A, Kennedy JM, Craymer K, Farrington L, Auh JS. (1998)
Standard binding and functional assays related to medications development division testing for potential cocaine and opiate narcotic treatment medications.

NOTE: This paper is available through the website of the International Narcotics Research Conference, at http://www.inrcworld.org/links2.htm.
.
NIDA Res Monogr178: 440-466. [PMID:9686407]