Drug Information

Drug ID:  NPD990
Drug Name:  Tacrine Hydrochloride
Molecular Formula:  C13H14N2.ClH
Canonical SMILES:  N=c1c2CCCCc2[nH]c2c1cccc2.Cl
Standard InCHI:  InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H
Standard InCHIKey:  ZUFVXZVXEJHHBN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD990

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  198.12
ALogP  -0.9586
MLogP  2.67
XLogP  3.249
HDA  2
HBD  2
Rotatable Bonds  0
TPSA  35.88
RO5 Violation  0