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APOLLO-ZINC00153169

 MMsINC code: MMs00043955
Type: Neutral
Formula: C9H8FNO5
SMILES:   Fc1cc(OCC(OC)=O)c([N+](=O)[O-])cc1
InChI:   InChI=1/C9H8FNO5/c1-15-9(12)5-16-8-4-6(10)2-3-7(8)11(13)14/h2-4H,5H2,1H3

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Potential Energy
Epot(MMFF94)=65.122 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.163 g/mol  logS: -2.92864  SlogP: 1.2857  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0131494  Sterimol/B1: 2.37563  Sterimol/B2: 2.37666  Sterimol/B3: 4.51126
  Sterimol/B4: 5.08348  Sterimol/L: 13.4899 
 
 Surface and Volume Properties
  Accessible surface: 411.789  Positive charged surface: 224.812  Negative charged surface: 186.977  Volume: 181.875
  Hydrophobic surface: 290.715  Hydrophilic surface: 121.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.