Drug Information

Drug ID:  NPD873
Drug Name:  Memantine
Molecular Formula:  C12H21N
Canonical SMILES:  CC12CC3CC(C1)(C)CC(C2)(C3)N
Standard InCHI:  InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
Standard InCHIKey:  BUGYDGFZZOZRHP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD873

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   DAP000493; DIB003515
DrugBank   DB01043
ChEMBL   CHEMBL807
IUPHAR/BPS   4253
PharmaGKB   PA10364
KEGG Drug  
PubChem CID   4054
ChEBI   64312
CAS Number  19982-08-2

Drug Properties

Molecular Weight  179.17
ALogP  1.0069
MLogP  2.67
XLogP  3.524
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  26.02
RO5 Violation  0