Drug Information

Drug ID:  NPD8871
Drug Name:  Glutamic Acid Hydrochloride
Molecular Formula:  C5H9NO4.ClH
Canonical SMILES:  OC(=O)CC[C@@H](C(=O)O)N.Cl
Standard InCHI:  InChI=1S/C5H9NO4.ClH/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);1H/t3-;/m0./s1
Standard InCHIKey:  RPAJSBKBKSSMLJ-DFWYDOINSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8871

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  147.05
ALogP  -1.6398
MLogP  1.46
XLogP  -3.349
HDA  5
HBD  3
Rotatable Bonds  7
TPSA  100.62
RO5 Violation  0