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INDOFINE-ZINC00895404

 MMsINC code: MMs02091510
Type: Neutral
Formula: C11H6O4
SMILES:   O1c2c(C=CC1=O)cc1c(occ1)c2O
InChI:   InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.7963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.165 g/mol  logS: -3.85438  SlogP: 2.0706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00413181  Sterimol/B1: 2.097  Sterimol/B2: 2.26021  Sterimol/B3: 2.56261
  Sterimol/B4: 5.96776  Sterimol/L: 12.227 
 
 Surface and Volume Properties
  Accessible surface: 373.448  Positive charged surface: 183.079  Negative charged surface: 183.71  Volume: 172.75
  Hydrophobic surface: 247.664  Hydrophilic surface: 125.784
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.