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CHEMBRIDGE-ZINC00190235

 MMsINC code: MMs00594353
Type: Neutral
Formula: C8H9FN2O4
SMILES:   FC1=CN(CC(OCC)=O)C(=O)NC1=O
InChI:   InChI=1/C8H9FN2O4/c1-2-15-6(12)4-11-3-5(9)7(13)10-8(11)14/h3H,2,4H2,1H3,(H,10,13,14)

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Potential Energy
Epot(MMFF94)=11.2714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.168 g/mol  logS: -1.43168  SlogP: 0.0211  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0739884  Sterimol/B1: 2.74326  Sterimol/B2: 3.40514  Sterimol/B3: 3.81864
  Sterimol/B4: 4.01603  Sterimol/L: 13.5833 
 
 Surface and Volume Properties
  Accessible surface: 399.044  Positive charged surface: 237.085  Negative charged surface: 161.959  Volume: 176.875
  Hydrophobic surface: 212.974  Hydrophilic surface: 186.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.