Drug Information

Drug ID:  NPD8554
Drug Name:  Metformin Hydrochloride
Molecular Formula:  C4H11N5.ClH
Canonical SMILES:  CN(C(=N)NC(=N)N)C.Cl
Standard InCHI:  InChI=1S/C4H11N5.ClH/c1-9(2)4(7)8-3(5)6;/h1-2H3,(H5,5,6,7,8);1H
Standard InCHIKey:  OETHQSJEHLVLGH-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8554

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
High Similarity 1.0 NPC230775
Remote Similarity 0.6 NPC163099
Remote Similarity 0.5806 NPC73371

Drug Structure

External Identifiers

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Drug Properties

Molecular Weight  129.10
ALogP  -0.2231
MLogP  1.35
XLogP  0.558
HDA  5
HBD  4
Rotatable Bonds  6
TPSA  88.99
RO5 Violation  0