Drug Information

Drug ID:  NPD8579
Drug Name:  Acesulfame
Molecular Formula:  C4H5NO4S
Canonical SMILES:  CC1=CC(=NS(=O)(=O)O1)O
Standard InCHI:  InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
Standard InCHIKey:  YGCFIWIQZPHFLU-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8579

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Remote Similarity 0.6327 NPC86121

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  162.99
ALogP  -0.7668
MLogP  1.24
XLogP  -0.93
HDA  5
HBD  1
Rotatable Bonds  2
TPSA  84.34
RO5 Violation  0