PTBE

Ligand id: 1403

Name: PTBE

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 110.22
Molecular weight 410.2
XLogP 5.17
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[2-hydroxy-3-propyl-4-[4-[4-(2H-tetrazol-5-yl)phenoxy]butoxy]phenyl]ethanone
Database Links
BindingDB Ligand 50153757
ChEMBL Ligand CHEMBL182371
PubChem CID 10047169
Search Google for chemical match using the InChIKey FEEONEKLFGDWHR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FEEONEKLFGDWHR
Search UniChem for chemical match using the InChIKey FEEONEKLFGDWHR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FEEONEKLFGDWHR