Drug Information

Drug ID:  NPD984
Drug Name:  Ceftizoxime Sodium
Molecular Formula:  C13H13N5O5S2.Na
Canonical SMILES:  [O-]C(=N[C@H]1[C@H]2SCC=C(N2C1=O)C(=O)O)/C(=NOC)/c1csc(=N)[nH]1.[Na+]
Standard InCHI:  InChI=1S/C13H13N5O5S2.Na/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18;/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22);/q;+1/p-1/b17-7-;/t8-,11-;/m1./s1
Standard InCHIKey:  ADLFUPFRVXCDMO-LIGXYSTNSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD984

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

Similarity Level Similarity Score Natural Product ID
Remote Similarity 0.6581 NPC144780
Remote Similarity 0.6107 NPC288109
Remote Similarity 0.5802 NPC59249

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  382.03
ALogP  -1.0607
MLogP  1.57
XLogP  1.236
HDA  8
HBD  3
Rotatable Bonds  8
TPSA  201.1
RO5 Violation  0