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MDPI-ZINC03851244

 MMsINC code: MMs02183212
Type: Neutral
Formula: C9H9FN2O4
SMILES:   Fc1ccc([N+](=O)[O-])cc1NC(OCC)=O
InChI:   InChI=1/C9H9FN2O4/c1-2-16-9(13)11-8-5-6(12(14)15)3-4-7(8)10/h3-5H,2H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=43.8807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.179 g/mol  logS: -3.07621  SlogP: 2.3023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213732  Sterimol/B1: 2.55247  Sterimol/B2: 2.79435  Sterimol/B3: 4.60466
  Sterimol/B4: 4.89173  Sterimol/L: 13.4761 
 
 Surface and Volume Properties
  Accessible surface: 422.193  Positive charged surface: 217.504  Negative charged surface: 204.69  Volume: 187.75
  Hydrophobic surface: 254.71  Hydrophilic surface: 167.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.