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CHEMBRIDGE-ZINC00439134

 MMsINC code: MMs00615468
Type: Neutral
Formula: C11H12N2O4
SMILES:   O(C(=O)c1ccc(cc1)\C=N\NC(=O)CO)C
InChI:   InChI=1/C11H12N2O4/c1-17-11(16)9-4-2-8(3-5-9)6-12-13-10(15)7-14/h2-6,14H,7H2,1H3,(H,13,15)/b12-6+

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Potential Energy
Epot(MMFF94)=82.7424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.227 g/mol  logS: -1.94944  SlogP: -0.0844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00574004  Sterimol/B1: 2.37509  Sterimol/B2: 2.37631  Sterimol/B3: 2.54898
  Sterimol/B4: 5.73445  Sterimol/L: 17.0345 
 
 Surface and Volume Properties
  Accessible surface: 471.159  Positive charged surface: 321.944  Negative charged surface: 149.215  Volume: 216.875
  Hydrophobic surface: 292.703  Hydrophilic surface: 178.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.