ZK112993

Ligand Id: 3448
Ligand name ZK112993

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.37
Molecular weight 428.24
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(8S,11R,13S,14R,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Synonyms
11β-(4-acetylphenyl)-17β-hydroxyl-17α-(1-propinyl)-4,8-estradiene-3-one
Database Links
CAS Registry No. 105114-63-4 (source: Scifinder)
PubChem CID 5311504
Search Google for chemical match using the InChIKey OPKMKRUFBKTTRF-VBWGZTFCSA-N
Search Google for chemicals with the same backbone OPKMKRUFBKTTRF
ZINC ZINC03920458