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PUBCHEM-ZINC01083182

 MMsINC code: MMs02766236
Type: Neutral
Formula: C6H5FN2O4
SMILES:   FC1=CN(OC(=O)C)C(=O)NC1=O
InChI:   InChI=1/C6H5FN2O4/c1-3(10)13-9-2-4(7)5(11)8-6(9)12/h2H,1H3,(H,8,11,12)

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Potential Energy
Epot(MMFF94)=40.4723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.114 g/mol  logS: -1.22375  SlogP: -0.0639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482406  Sterimol/B1: 2.54427  Sterimol/B2: 3.14688  Sterimol/B3: 3.77038
  Sterimol/B4: 4.00983  Sterimol/L: 11.1014 
 
 Surface and Volume Properties
  Accessible surface: 337.304  Positive charged surface: 156.62  Negative charged surface: 180.685  Volume: 138.5
  Hydrophobic surface: 180.384  Hydrophilic surface: 156.92
 
 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.