methoctramine

Ligand id: 327

Name: methoctramine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 29
Topological polar surface area 66.58
Molecular weight 582.49
XLogP 8.18
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine
Database Links
BindingDB Ligand 50064176
ChEMBL Ligand CHEMBL27673
PubChem CID 4108
Search Google for chemical match using the InChIKey RPMBYDYUVKEZJA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RPMBYDYUVKEZJA
Search UniChem for chemical match using the InChIKey RPMBYDYUVKEZJA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RPMBYDYUVKEZJA
Wikipedia Methoctramine