Drug Information

Drug ID:  NPD3572
Drug Name:  Cefepime
Molecular Formula:  C19H24N6O5S2
Canonical SMILES:  CO/N=C(/c1csc(=N)[nH]1)C(=N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[N+]1(C)CCCC1)O
Standard InCHI:  InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1
Standard InCHIKey:  HVFLCNVBZFFHBT-ZKDACBOMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3572

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 0.6612 NPC144780
Remote Similarity 0.6391 NPC288109
Remote Similarity 0.5852 NPC59249
Remote Similarity 0.5811 NPC476158
Remote Similarity 0.5748 NPC117829

Drug Structure

External Identifiers

TTD   DAP000455
DrugBank   DB01413
ChEMBL   CHEMBL186
IUPHAR/BPS  
PharmaGKB   PA164754876
KEGG Drug   D02376
PubChem CID   5479537
ChEBI   478164
CAS Number  88040-23-7

Drug Properties

Molecular Weight  480.12
ALogP  -3.1391
MLogP  2.12
XLogP  0.446
HDA  8
HBD  3
Rotatable Bonds  11
TPSA  201.1
RO5 Violation  0