Drug Information

Drug ID:  NPD345
Drug Name:  Camphor
Molecular Formula:  C10H16O
Canonical SMILES:  O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C
Standard InCHI:  InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
Standard InCHIKey:  DSSYKIVIOFKYAU-XCBNKYQSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD345

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  152.12
ALogP  0.9693
MLogP  2.45
XLogP  2.127
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  17.07
RO5 Violation  0