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NCID-ZINC01665340

 MMsINC code: MMs02301503
Type: Neutral
Formula: C5H2F4N2O2
SMILES:   FC=1C(=O)NC(=O)NC=1C(F)(F)F
InChI:   InChI=1/C5H2F4N2O2/c6-1-2(5(7,8)9)10-4(13)11-3(1)12/h(H2,10,11,12,13)

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Potential Energy
Epot(MMFF94)=2.65595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.075 g/mol  logS: -2.18408  SlogP: 1.098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0499123  Sterimol/B1: 2.63772  Sterimol/B2: 2.63842  Sterimol/B3: 2.82838
  Sterimol/B4: 5.10305  Sterimol/L: 8.52552 
 
 Surface and Volume Properties
  Accessible surface: 296.354  Positive charged surface: 94.8638  Negative charged surface: 201.49  Volume: 120.625
  Hydrophobic surface: 42.3334  Hydrophilic surface: 254.0206
 
 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.