Drug Information

Drug ID:  NPD7354
Drug Name:  Trichloroethane
Molecular Formula:  C2H3Cl3
Canonical SMILES:  CC(Cl)(Cl)Cl
Standard InCHI:  InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
Standard InCHIKey:  UOCLXMDMGBRAIB-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7354

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 0.75 NPC323700
Remote Similarity 0.6429 NPC243894
Remote Similarity 0.6429 NPC318820
Remote Similarity 0.5833 NPC90974
Remote Similarity 0.5714 NPC182606

Drug Structure

External Identifiers

TTD  
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ChEMBL  
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PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
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Drug Properties

Molecular Weight  131.93
ALogP  2.0293
MLogP  1.35
XLogP  2.469
HDA  0
HBD  0
Rotatable Bonds  4
TPSA  0
RO5 Violation  0