Drug Information

Drug ID:  NPD921
Drug Name:  eltenac
Molecular Formula:  C12H9Cl2NO2S
Canonical SMILES:  OC(=O)Cc1cscc1Nc1c(Cl)cccc1Cl
Standard InCHI:  InChI=1S/C12H9Cl2NO2S/c13-8-2-1-3-9(14)12(8)15-10-6-18-5-7(10)4-11(16)17/h1-3,5-6,15H,4H2,(H,16,17)
Standard InCHIKey:  AELILMBZWCGOSB-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD921

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 0.6049 NPC477432
Remote Similarity 0.6 NPC253476
Remote Similarity 0.5986 NPC328877
Remote Similarity 0.5939 NPC130655
Remote Similarity 0.5917 NPC242933
Remote Similarity 0.5893 NPC287358
Remote Similarity 0.5882 NPC43477
Remote Similarity 0.586 NPC229353
Remote Similarity 0.5808 NPC272483
Remote Similarity 0.5739 NPC300596
Remote Similarity 0.5739 NPC237649
Remote Similarity 0.5737 NPC249662
Remote Similarity 0.5723 NPC314098
Remote Similarity 0.5714 NPC146370
Remote Similarity 0.568 NPC173295
Remote Similarity 0.5679 NPC254698
Remote Similarity 0.5663 NPC194562
Remote Similarity 0.5649 NPC313981
Remote Similarity 0.5632 NPC111275
Remote Similarity 0.5617 NPC268534
Remote Similarity 0.5602 NPC209389

Drug Structure

External Identifiers

TTD   DIB014145
DrugBank  
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IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
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Drug Properties

Molecular Weight  300.97
ALogP  1.4538
MLogP  2.12
XLogP  3.232
HDA  3
HBD  2
Rotatable Bonds  7
TPSA  77.57
RO5 Violation  0