Drug Information

Drug ID:  NPD9511
Drug Name:  Clavulanate Potassium
Molecular Formula:  C8H9NO5.K
Canonical SMILES:  [O-]C(=O)[C@@H]1N2[C@H](O/C/1=CCO)CC2=O.[K+]
Standard InCHI:  InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
Standard InCHIKey:  ABVRVIZBZKUTMK-JSYANWSFSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9511

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
High Similarity 0.9873 NPC264014
Remote Similarity 0.6602 NPC188785
Remote Similarity 0.6111 NPC326126
Remote Similarity 0.5865 NPC313265
Remote Similarity 0.5727 NPC6271
Remote Similarity 0.5727 NPC173690
Remote Similarity 0.5727 NPC80439
Remote Similarity 0.5727 NPC279833
Remote Similarity 0.5714 NPC97614
Remote Similarity 0.5676 NPC64168
Remote Similarity 0.56 NPC475975

Drug Structure

External Identifiers

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ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
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Drug Properties

Molecular Weight  198.04
ALogP  -2.1243
MLogP  1.68
XLogP  -2
HDA  6
HBD  1
Rotatable Bonds  4
TPSA  89.9
RO5 Violation  0