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PUBCHEM-ZINC06090990

 MMsINC code: MMs03536952
Type: Neutral
Formula: C6H7FN2O2
SMILES:   FCCC1=CNC(=O)NC1=O
InChI:   InChI=1/C6H7FN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h3H,1-2H2,(H2,8,9,10,11)

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Potential Energy
Epot(MMFF94)=-16.9649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.132 g/mol  logS: -0.62825  SlogP: 0.0693  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0992575  Sterimol/B1: 2.43678  Sterimol/B2: 2.59956  Sterimol/B3: 3.00582
  Sterimol/B4: 5.18011  Sterimol/L: 10.7367 
 
 Surface and Volume Properties
  Accessible surface: 307.876  Positive charged surface: 174.865  Negative charged surface: 133.012  Volume: 129.125
  Hydrophobic surface: 121.978  Hydrophilic surface: 185.898
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.