Drug Information

Drug ID:  NPD7388
Drug Name:  Trichloroacetic Acid
Molecular Formula:  C2HCl3O2
Canonical SMILES:  OC(=O)C(Cl)(Cl)Cl
Standard InCHI:  InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
Standard InCHIKey:  YNJBWRMUSHSURL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7388

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 1.0 NPC326511
Intermediate Similarity 0.8333 NPC278758
Intermediate Similarity 0.75 NPC158994

Drug Structure

External Identifiers

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PubChem CID  
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Drug Properties

Molecular Weight  161.90
ALogP  1.4484
MLogP  1.13
XLogP  1.03
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  37.3
RO5 Violation  0