cocaine

Ligand id: 2286

Name: cocaine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 55.84
Molecular weight 303.15
XLogP 3.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Brady CA, Stanford IM, Ali I, Lin L, Williams JM, Dubin AE, Hope AG, Barnes NM. (2001)
Pharmacological comparison of human homomeric 5-HT3A receptors versus heteromeric 5-HT3A/3B receptors.
Neuropharmacology41 (2): 282-4. [PMID:11489465]
2. Carroll FI, Runyon SP, Abraham P, Navarro H, Kuhar MJ, Pollard GT, Howard JL. (2004)
Monoamine transporter binding, locomotor activity, and drug discrimination properties of 3-(4-substituted-phenyl)tropane-2-carboxylic acid methyl ester isomers.
J. Med. Chem.47 (25): 6401-9. [PMID:15566309]
3. Hope AG, Peters JA, Brown AM, Lambert JJ, Blackburn TP. (1996)
Characterization of a human 5-hydroxytryptamine3 receptor type A (h5-HT3R-AS) subunit stably expressed in HEK 293 cells.
Br. J. Pharmacol.118 (5): 1237-45. [PMID:8818349]