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CHEMBLOCK-ZINC00076961

 MMsINC code: MMs00494160
Type: Neutral
Formula: C7H9FN2O3
SMILES:   FC1=CN(C(OC)C)C(=O)NC1=O
InChI:   InChI=1/C7H9FN2O3/c1-4(13-2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=5.76801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.158 g/mol  logS: -1.04688  SlogP: 0.4504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.317665  Sterimol/B1: 1.99495  Sterimol/B2: 3.02255  Sterimol/B3: 4.0463
  Sterimol/B4: 5.46668  Sterimol/L: 9.98199 
 
 Surface and Volume Properties
  Accessible surface: 349.31  Positive charged surface: 218.257  Negative charged surface: 131.053  Volume: 155.875
  Hydrophobic surface: 213.615  Hydrophilic surface: 135.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.