Drug Information

Drug ID:  NPD3876
Drug Name:  Cefodizime
Molecular Formula:  C20H20N6O7S4
Canonical SMILES:  CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nc(c(s1)CC(=O)O)C)O
Standard InCHI:  InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
Standard InCHIKey:  XDZKBRJLTGRPSS-BGZQYGJUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3876

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 0.6433 NPC150950
Remote Similarity 0.6433 NPC189436
Remote Similarity 0.6433 NPC125076
Remote Similarity 0.625 NPC329165
Remote Similarity 0.6215 NPC317197
Remote Similarity 0.6215 NPC320833
Remote Similarity 0.6193 NPC103268
Remote Similarity 0.6048 NPC143325
Remote Similarity 0.601 NPC122427
Remote Similarity 0.5989 NPC475390
Remote Similarity 0.5951 NPC165538
Remote Similarity 0.5932 NPC478030
Remote Similarity 0.5931 NPC329961
Remote Similarity 0.5879 NPC469801
Remote Similarity 0.5813 NPC96016
Remote Similarity 0.576 NPC145178
Remote Similarity 0.576 NPC475350
Remote Similarity 0.576 NPC14877
Remote Similarity 0.5708 NPC477419
Remote Similarity 0.5708 NPC477417
Remote Similarity 0.5682 NPC251036
Remote Similarity 0.5603 NPC475196

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  584.03
ALogP  0.8488
MLogP  1.79
XLogP  1.485
HDA  11
HBD  5
Rotatable Bonds  15
TPSA  302
RO5 Violation  1