Drug Information

Drug ID:  NPD7360
Drug Name:  Triclofos
Molecular Formula:  C2H4Cl3O4P
Canonical SMILES:  ClC(COP(=O)(O)O)(Cl)Cl
Standard InCHI:  InChI=1S/C2H4Cl3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
Standard InCHIKey:  YYQRGCZGSFRBAM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7360

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
Intermediate Similarity 0.7931 NPC290971
Remote Similarity 0.6552 NPC317545
Remote Similarity 0.6207 NPC314978
Remote Similarity 0.5926 NPC254757
Remote Similarity 0.5667 NPC321100
Remote Similarity 0.5625 NPC120097

Drug Structure

External Identifiers

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ChEMBL  
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PubChem CID  
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Drug Properties

Molecular Weight  227.89
ALogP  1.3037
MLogP  0.8
XLogP  0.108
HDA  4
HBD  2
Rotatable Bonds  8
TPSA  76.57
RO5 Violation  0