General
Preferred name
PD052101
Synonyms
3-Hydroxycapric acid ()
3-hydroxy capric acid ()
3-hydroxy Decanoic Acid ()
P&D ID
PD052101
CAS
14292-26-3
122807-77-6
33044-91-6
5561-87-5
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
5
Cayman Chemical Bioactives
24613
DrugMAP
DMC70P1
Guide to Pharmacology
5848
MedChem Express Bioactive Compound Library
HY-113057
TargetMol Bioactive Compound Library
T7565
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
188.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
8
Ring Count
0
Aromatic Ring Count
0
cLogP
2.18
TPSA
57.53
Fraction CSP3
0.9
Chiral centers
1.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
Endogenous Metabolite
Source data