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PUBCHEM-ZINC00259423

 MMsINC code: MMs02647098
Type: Neutral
Formula: C11H11FN2O3
SMILES:   Fc1ccc(cc1[N+](=O)[O-])C=1OCC(N=1)(C)C
InChI:   InChI=1/C11H11FN2O3/c1-11(2)6-17-10(13-11)7-3-4-8(12)9(5-7)14(15)16/h3-5H,6H2,1-2H3

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Potential Energy
Epot(MMFF94)=60.4089 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.218 g/mol  logS: -3.74985  SlogP: 2.2893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0734578  Sterimol/B1: 2.21321  Sterimol/B2: 4.41406  Sterimol/B3: 4.47766
  Sterimol/B4: 4.88676  Sterimol/L: 13.3673 
 
 Surface and Volume Properties
  Accessible surface: 431.596  Positive charged surface: 227.399  Negative charged surface: 204.197  Volume: 206.125
  Hydrophobic surface: 294.296  Hydrophilic surface: 137.3
 
 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.