Drug Information

Drug ID:  NPD8612
Drug Name:  Trichlorfon
Molecular Formula:  C4H8Cl3O4P
Canonical SMILES:  COP(=O)(C(C(Cl)(Cl)Cl)O)OC
Standard InCHI:  InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
Standard InCHIKey:  NFACJZMKEDPNKN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8612

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 0.7353 NPC290971
Remote Similarity 0.6875 NPC314978
Remote Similarity 0.6176 NPC317545
Remote Similarity 0.5833 NPC68114
Remote Similarity 0.5833 NPC120097
Remote Similarity 0.5758 NPC327597
Remote Similarity 0.5641 NPC321170
Remote Similarity 0.5641 NPC31433
Remote Similarity 0.5641 NPC266566
Remote Similarity 0.5625 NPC254757

Drug Structure

External Identifiers

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Drug Properties

Molecular Weight  255.92
ALogP  1.2382
MLogP  1.02
XLogP  0.527
HDA  4
HBD  1
Rotatable Bonds  10
TPSA  65.57
RO5 Violation  0