Drug Information

Drug ID:  NPD367
Drug Name:  Eucalyptol
Molecular Formula:  C10H18O
Canonical SMILES:  CC12CCC(CC1)C(O2)(C)C
Standard InCHI:  InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
Standard InCHIKey:  WEEGYLXZBRQIMU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD367

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

Drug Structure

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External Identifiers

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

Drug Properties

Molecular Weight  154.14
ALogP  1.3109
MLogP  2.45
XLogP  2.595
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  9.23
RO5 Violation  0