Drug Information

Drug ID:  NPD901
Drug Name:  Etoglucid
Molecular Formula:  C12H22O6
Canonical SMILES:  O(CCOCC1OC1)CCOCCOCC1OC1
Standard InCHI:  InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2
Standard InCHIKey:  UMILHIMHKXVDGH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD901

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

Drug Structure

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External Identifiers

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

Drug Properties

Molecular Weight  262.14
ALogP  -0.9094
MLogP  2.12
XLogP  -1.276
HDA  6
HBD  0
Rotatable Bonds  13
TPSA  61.98
RO5 Violation  1