General
Preferred name
MONOCTANOIN COMPONENT C
Synonyms
Glyceryl-1,2-dicaprylate ()
Glyceryl 1,2-dicaprylate ()
P&D ID
PD069244
CAS
1069-87-0
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
344.26
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
16
Ring Count
0
Aromatic Ring Count
0
cLogP
4.15
TPSA
72.83
Fraction CSP3
0.89
Chiral centers
1.0
Largest ring
0.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
