Drug Information

Drug ID:  NPD3571
Drug Name:  Cefepime Hydrochloride
Molecular Formula:  C19H24N6O5S2.2ClH.H2O
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.O.Cl.Cl
Standard InCHI:  InChI=1S/C19H24N6O5S2.2ClH.H2O/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);2*1H;1H2/b23-12-;;;/t13-,17-;;;/m1.../s1
Standard InCHIKey:  LRAJHPGSGBRUJN-OMIVUECESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3571

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

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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