General
Preferred name
Methyl laurate
Synonyms
Methyl dodecanoate ()
Lauric Acid methyl ester ()
P&D ID
PD043858
CAS
111-82-0
Tags
natural product
available
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
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
214.19
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
0
Aromatic Ring Count
0
cLogP
4.08
TPSA
26.3
Fraction CSP3
0.92
Chiral centers
0.0
Largest ring
0.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
