General
Preferred name
Dimethyl carbate
Synonyms
dimethylcarbate ()
P&D ID
PD071942
CAS
39589-98-5
Tags
available
drug
Drug Status
experimental
approved
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 ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
210.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
0
cLogP
0.77
TPSA
52.6
Fraction CSP3
0.64
Chiral centers
4.0
Largest ring
5.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
