5β-pregnane-3,20-dione

Ligand Id: 2759
Ligand name 5β-pregnane-3,20-dione

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 34.14
Molecular weight 316.24
XLogP 5.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Database Links
CAS Registry No. 128-23-4 (source: Scifinder)
ChEBI CHEBI:30154
ChEMBL Ligand CHEMBL486954
NURSA Ligand 10.1621/3CGF3IAR19
PubChem CID 92745
Search Google for chemical match using the InChIKey XMRPGKVKISIQBV-XWOJZHJZSA-N
Search Google for chemicals with the same backbone XMRPGKVKISIQBV