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NCID-ZINC01751113

 MMsINC code: MMs02362161
Type: Neutral
Formula: C7H8F2N2O2
SMILES:   FC(F)CCC1=CNC(=O)NC1=O
InChI:   InChI=1/C7H8F2N2O2/c8-5(9)2-1-4-3-10-7(13)11-6(4)12/h3,5H,1-2H2,(H2,10,11,12,13)

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Potential Energy
Epot(MMFF94)=-15.0194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.149 g/mol  logS: -1.03444  SlogP: 1.1749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799503  Sterimol/B1: 2.44044  Sterimol/B2: 2.65257  Sterimol/B3: 3.09275
  Sterimol/B4: 5.17597  Sterimol/L: 11.6148 
 
 Surface and Volume Properties
  Accessible surface: 342.067  Positive charged surface: 174.072  Negative charged surface: 167.995  Volume: 150.375
  Hydrophobic surface: 115.232  Hydrophilic surface: 226.835
 
 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.