Drug Information

Drug ID:  NPD7387
Drug Name:  Trichloroethylene
Molecular Formula:  C2HCl3
Canonical SMILES:  ClC=C(Cl)Cl
Standard InCHI:  InChI=1S/C2HCl3/c3-1-2(4)5/h1H
Standard InCHIKey:  XSTXAVWGXDQKEL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7387

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 NPC318820
Intermediate Similarity 0.8462 NPC323700
Intermediate Similarity 0.7333 NPC243894
Remote Similarity 0.6667 NPC182606
Remote Similarity 0.6316 NPC223400
Remote Similarity 0.5714 NPC90974

Drug Structure

External Identifiers

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PubChem CID  
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Drug Properties

Molecular Weight  129.91
ALogP  1.7428
MLogP  1.35
XLogP  2.642
HDA  0
HBD  0
Rotatable Bonds  3
TPSA  0
RO5 Violation  0