Drug Information

Drug ID:  NPD7353
Drug Name:  Chloroethene
Molecular Formula:  C2H3Cl
Canonical SMILES:  ClC=C
Standard InCHI:  InChI=1S/C2H3Cl/c1-2-3/h2H,1H2
Standard InCHIKey:  BZHJMEDXRYGGRV-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7353

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 0.7857 NPC318820
Remote Similarity 0.6667 NPC223400
Remote Similarity 0.6429 NPC323700
Remote Similarity 0.6 NPC182606
Remote Similarity 0.5625 NPC243894

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
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Drug Properties

Molecular Weight  61.99
ALogP  1.002
MLogP  1.57
XLogP  1.549
HDA  0
HBD  0
Rotatable Bonds  1
TPSA  0
RO5 Violation  0