Drug Information

Drug ID:  NPD596
Drug Name:  Methoxamine Hydrochloride
Molecular Formula:  C11H17NO3.ClH
Canonical SMILES:  COc1ccc(c(c1)C(C(N)C)O)OC.Cl
Standard InCHI:  InChI=1S/C11H17NO3.ClH/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3;/h4-7,11,13H,12H2,1-3H3;1H
Standard InCHIKey:  YGRFXPCHZBRUKP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD596

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  211.12
ALogP  -1.3633
MLogP  2.23
XLogP  0.609
HDA  2
HBD  2
Rotatable Bonds  9
TPSA  64.71
RO5 Violation  0