Drug Information

Drug ID:  NPD8793
Drug Name:  
Molecular Formula:  C5H11N2O2.ClH.Hg
Canonical SMILES:  [O-]C(=N)NCC(OC)[CH2].Cl.[198Hg+]
Standard InCHI:  InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/i;;1-4
Standard InCHIKey:  BJFGVYCULWBXKF-WUYZZQIKSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD8793

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   DAP000754
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   11954348
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  131.08
ALogP  -0.7916
MLogP  1.57
XLogP  0.498
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  68.17
RO5 Violation  0