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ENAMINE-ZINC03392616

 MMsINC code: MMs01414621
Type: Neutral
Formula: C12H11F2NO3
SMILES:   Fc1ccc(F)cc1NC(=O)COC(=O)C1CC1
InChI:   InChI=1/C12H11F2NO3/c13-8-3-4-9(14)10(5-8)15-11(16)6-18-12(17)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=61.1159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.22 g/mol  logS: -2.89396  SlogP: 1.8565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026257  Sterimol/B1: 3.01591  Sterimol/B2: 3.04544  Sterimol/B3: 3.58068
  Sterimol/B4: 4.78194  Sterimol/L: 15.733 
 
 Surface and Volume Properties
  Accessible surface: 475.665  Positive charged surface: 260.831  Negative charged surface: 214.834  Volume: 218.625
  Hydrophobic surface: 349.88  Hydrophilic surface: 125.785
 
 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.