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Compound Detail

CHEMBL318140

METHYL METHOXY(METHYLSULFONYL)CARBAMATE
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COC(=O)N(OC)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318140
Name METHYL METHOXY(METHYLSULFONYL)CARBAMATE
Phase Preclinical
Structure Type MOL
InChI Key ZBWGCLSVORXWIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
-0.42
ALogP
5
HBA
0
HBD
72.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9NO5S
MW 183.19
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
9667978 10.1021/jm980200+ Aldehyde dehydrogenase 1A1 1

Data from ChEMBL 36 via Core Engine