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CHEMBRIDGE-ZINC00473941

 MMsINC code: MMs00628218
Type: Neutral
Formula: C10H12N2O4
SMILES:   O(C(=O)Nc1ccc(NC(OC)=O)cc1)C
InChI:   InChI=1/C10H12N2O4/c1-15-9(13)11-7-3-5-8(6-4-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=31.8409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.216 g/mol  logS: -1.9427  SlogP: 2.0432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.015093  Sterimol/B1: 2.55846  Sterimol/B2: 2.78237  Sterimol/B3: 3.67255
  Sterimol/B4: 4.10096  Sterimol/L: 16.8284 
 
 Surface and Volume Properties
  Accessible surface: 445.188  Positive charged surface: 331.096  Negative charged surface: 114.092  Volume: 204.875
  Hydrophobic surface: 314.608  Hydrophilic surface: 130.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.