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NCID-ZINC01608202

 MMsINC code: MMs02259736
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)=-10.7428 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: 0.24701  Sterimol/B1: 3.25351  Sterimol/B2: 3.56201  Sterimol/B3: 3.9087
  Sterimol/B4: 4.19039  Sterimol/L: 10.1872 
 
 Surface and Volume Properties
  Accessible surface: 356.903  Positive charged surface: 216.493  Negative charged surface: 140.41  Volume: 151.625
  Hydrophobic surface: 108.778  Hydrophilic surface: 248.125
 
 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.