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ENAMINE-ZINC03393046

 MMsINC code: MMs01414961
Type: Neutral
Formula: C14H17FN2O4
SMILES:   Fc1ccccc1C(OCC(=O)NC(=O)NC(C)(C)C)=O
InChI:   InChI=1/C14H17FN2O4/c1-14(2,3)17-13(20)16-11(18)8-21-12(19)9-6-4-5-7-10(9)15/h4-7H,8H2,1-3H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=46.5222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.298 g/mol  logS: -3.44432  SlogP: 1.6068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245738  Sterimol/B1: 2.37517  Sterimol/B2: 3.35566  Sterimol/B3: 4.87406
  Sterimol/B4: 5.06513  Sterimol/L: 18.0702 
 
 Surface and Volume Properties
  Accessible surface: 540.972  Positive charged surface: 327.568  Negative charged surface: 213.404  Volume: 272.75
  Hydrophobic surface: 367.055  Hydrophilic surface: 173.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.