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NCID-ZINC01608203

 MMsINC code: MMs02259737
Type: Neutral
Formula: C6H7FN2O5
SMILES:   FC1(C(OC)=O)C(O)NC(=O)NC1=O
InChI:   InChI=1/C6H7FN2O5/c1-14-4(12)6(7)2(10)8-5(13)9-3(6)11/h2,10H,1H3,(H2,8,9,11,13)/t2-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.33202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.129 g/mol  logS: -0.55053  SlogP: -1.5546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253007  Sterimol/B1: 3.31094  Sterimol/B2: 3.85535  Sterimol/B3: 4.2407
  Sterimol/B4: 4.37122  Sterimol/L: 9.98111 
 
 Surface and Volume Properties
  Accessible surface: 351.484  Positive charged surface: 215.665  Negative charged surface: 135.82  Volume: 151.25
  Hydrophobic surface: 112.407  Hydrophilic surface: 239.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.