Drug Information

Drug ID:  NPD292
Drug Name:  Phentermine Hydrochloride
Molecular Formula:  C10H15N.ClH
Canonical SMILES:  CC(Cc1ccccc1)(N)C.Cl
Standard InCHI:  InChI=1S/C10H15N.ClH/c1-10(2,11)8-9-6-4-3-5-7-9;/h3-7H,8,11H2,1-2H3;1H
Standard InCHIKey:  NCAIGTHBQTXTLR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD292

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  149.12
ALogP  0.1654
MLogP  2.45
XLogP  3.999
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  26.02
RO5 Violation  0