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PUBCHEM-ZINC00610755

 MMsINC code: MMs02712470
Type: Neutral
Formula: C13H16F2N2O2
SMILES:   Fc1cc(F)ccc1NC(=O)N1CC(OC(C1)C)C
InChI:   InChI=1/C13H16F2N2O2/c1-8-6-17(7-9(2)19-8)13(18)16-12-4-3-10(14)5-11(12)15/h3-5,8-9H,6-7H2,1-2H3,(H,16,18)/t8-,9+

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Potential Energy
Epot(MMFF94)=54.0748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.279 g/mol  logS: -2.85806  SlogP: 2.6059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376261  Sterimol/B1: 2.47397  Sterimol/B2: 2.68785  Sterimol/B3: 3.46037
  Sterimol/B4: 7.00385  Sterimol/L: 14.6746 
 
 Surface and Volume Properties
  Accessible surface: 484.606  Positive charged surface: 300.87  Negative charged surface: 183.736  Volume: 244.375
  Hydrophobic surface: 401.657  Hydrophilic surface: 82.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.