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CHEMBRIDGE-ZINC02993297

 MMsINC code: MMs00747646
Type: Neutral
Formula: C9H9FN2O4
SMILES:   Fc1ccc([N+](=O)[O-])cc1NC(=O)COC
InChI:   InChI=1/C9H9FN2O4/c1-16-5-9(13)11-8-4-6(12(14)15)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=76.0415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.179 g/mol  logS: -2.81482  SlogP: 1.3188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021593  Sterimol/B1: 2.07596  Sterimol/B2: 2.96999  Sterimol/B3: 4.35909
  Sterimol/B4: 5.10816  Sterimol/L: 13.2876 
 
 Surface and Volume Properties
  Accessible surface: 420.28  Positive charged surface: 237.952  Negative charged surface: 182.328  Volume: 187.375
  Hydrophobic surface: 282.976  Hydrophilic surface: 137.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.