ROMe

Ligand id: 6625

Name: ROMe

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 55.48
Molecular weight 321.27
XLogP 7.13
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
Synonyms
(R)-FTY720 methyl ether | (R)-FTY720-OMe
Database Links
ChEMBL Ligand CHEMBL2158686
PubChem CID 71458556
Search Google for chemical match using the InChIKey YEYZALQTJCVXIJ-HXUWFJFHSA-N
Search Google for chemicals with the same backbone YEYZALQTJCVXIJ
Search UniChem for chemical match using the InChIKey YEYZALQTJCVXIJ-HXUWFJFHSA-N
Search UniChem for chemicals with the same backbone YEYZALQTJCVXIJ
Comments
ROMe is a synthetic sphingosine analogue.