Ligand id: 5458

Name: methadone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 309.21
XLogP 7.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Poulain R, Horvath D, Bonnet B, Eckhoff C, Chapelain B, Bodinier MC, D├ęprez B. (2001)
From hit to lead. Combining two complementary methods for focused library design. Application to mu opiate ligands.
J. Med. Chem., 44 (21): 3378-90. [PMID:11585443]