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Compound Detail

CHEMBL3598229

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CCCCCCCCCCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3598229
Phase Preclinical
Structure Type MOL
InChI Key USQVRFZEIYYKND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
5.68
ALogP
6
HBA
2
HBD
127.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H36O8S2
MW 480.65
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.35

Data from ChEMBL 36 via Core Engine