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

Similarity Level Similarity Score Natural Product ID
Remote Similarity 0.6765 NPC281883
Remote Similarity 0.625 NPC230452
Remote Similarity 0.625 NPC329496
Remote Similarity 0.6061 NPC272307
Remote Similarity 0.5882 NPC238135
Remote Similarity 0.5882 NPC88135
Remote Similarity 0.5862 NPC43196
Remote Similarity 0.5758 NPC317724
Remote Similarity 0.5667 NPC61373
Remote Similarity 0.5667 NPC321400

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PubChem CID  
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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