Structure

InChI Key DSSYKIVIOFKYAU-XCBNKYQSSA-N
Smile CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
InChI
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.24
AlogP 2.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 50000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 15396
ChEMBL CHEMBL504760
DrugBank DB01744
EPA CompTox DTXSID4024721
FDA SRS 5TJD82A1ET
Human Metabolome Database HMDB0059838
PDB CAM
SureChEMBL SCHEMBL16069
ZINC ZINC000000967520