Drug Information

Drug ID:  NPD9609
Drug Name:  Phenylpropanolamine Hydrochloride
Molecular Formula:  C9H13NO.ClH
Canonical SMILES:  OC(c1ccccc1)C(N)C.Cl
Standard InCHI:  InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H
Standard InCHIKey:  DYWNLSQWJMTVGJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9609

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  151.10
ALogP  -1.2597
MLogP  2.23
XLogP  2.13
HDA  2
HBD  2
Rotatable Bonds  5
TPSA  46.25
RO5 Violation  0