Drug Information

Drug ID:  NPD7359
Drug Name:  Triclofos Sodium
Molecular Formula:  C2H4Cl3O4P.Na
Canonical SMILES:  ClC(COP(=O)(O)[O-])(Cl)Cl.[Na+]
Standard InCHI:  InChI=1S/C2H4Cl3O4P.Na/c3-2(4,5)1-9-10(6,7)8;/h1H2,(H2,6,7,8);/q;+1/p-1
Standard InCHIKey:  WFKJEZKHPGDCRK-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7359

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 0.7586 NPC290971
Remote Similarity 0.6207 NPC317545
Remote Similarity 0.6154 NPC254757
Remote Similarity 0.5862 NPC321100
Remote Similarity 0.5862 NPC314978

Drug Structure

External Identifiers

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Drug Properties

Molecular Weight  226.88
ALogP  0.6259
MLogP  0.8
XLogP  0.108
HDA  4
HBD  1
Rotatable Bonds  8
TPSA  79.4
RO5 Violation  0