General
Preferred name
Modafinil acid
Synonyms
2-(Benzhydrylsulfinyl)acetic acid ()
P&D ID
PD052385
CAS
63547-24-0
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
2-Benzhydrylsulfinylacetic acid (Modafinil acid) is the metabolite of modafinil[1].
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
17
Molecular Weight
274.07
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
2.61
TPSA
60.36
Fraction CSP3
0.13
Chiral centers
1.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Drug Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
