Drug Information

Drug ID:  NPD9615
Drug Name:  Phenylephrine Hydrochloride
Molecular Formula:  C9H13NO2.ClH
Canonical SMILES:  CNC[C@@H](c1cccc(c1)O)O.Cl
Standard InCHI:  InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
Standard InCHIKey:  OCYSGIYOVXAGKQ-FVGYRXGTSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9615

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  167.09
ALogP  -1.2775
MLogP  2.12
XLogP  0.464
HDA  2
HBD  3
Rotatable Bonds  6
TPSA  52.49
RO5 Violation  0