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CHEMDIV-ZINC06738042

 MMsINC code: MMs01006333
Type: Neutral
Formula: C13H12N2O4
SMILES:   o1nc(cc1C(=O)Nc1ccccc1C(OC)=O)C
InChI:   InChI=1/C13H12N2O4/c1-8-7-11(19-15-8)12(16)14-10-6-4-3-5-9(10)13(17)18-2/h3-7H,1-2H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=72.7849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.249 g/mol  logS: -2.84926  SlogP: 2.02192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179002  Sterimol/B1: 2.45634  Sterimol/B2: 2.73618  Sterimol/B3: 4.87368
  Sterimol/B4: 6.06957  Sterimol/L: 14.054 
 
 Surface and Volume Properties
  Accessible surface: 480.324  Positive charged surface: 301.788  Negative charged surface: 178.536  Volume: 235.625
  Hydrophobic surface: 389.627  Hydrophilic surface: 90.697
 
 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.