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CHEMBRIDGE-ZINC01066646

 MMsINC code: MMs00657159
Type: Neutral
Formula: C14H9NO3
SMILES:   O1C(=Nc2c(cc(O)cc2)C1=O)c1ccccc1
InChI:   InChI=1/C14H9NO3/c16-10-6-7-12-11(8-10)14(17)18-13(15-12)9-4-2-1-3-5-9/h1-8,16H

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Potential Energy
Epot(MMFF94)=58.8542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.23 g/mol  logS: -4.15321  SlogP: 2.6409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00572891  Sterimol/B1: 2.31101  Sterimol/B2: 2.46449  Sterimol/B3: 3.75817
  Sterimol/B4: 5.04716  Sterimol/L: 14.7544 
 
 Surface and Volume Properties
  Accessible surface: 446.399  Positive charged surface: 238.09  Negative charged surface: 208.31  Volume: 216.25
  Hydrophobic surface: 324.319  Hydrophilic surface: 122.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.