Drug Information

Drug ID:  NPD1471
Drug Name:  2-Acetyl Furanonapthoquinone
Molecular Formula:  C14H8O4
Canonical SMILES:  CC(=O)c1cc2c(o1)C(=O)c1c(C2=O)cccc1
Standard InCHI:  InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
Standard InCHIKey:  DPHUWDIXHNQOSY-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1471

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  240.04
ALogP  -0.9356
MLogP  2.56
XLogP  2.152
HDA  3
HBD  0
Rotatable Bonds  2
TPSA  64.35
RO5 Violation  0