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NCID-ZINC01751121

 MMsINC code: MMs02362164
Type: Neutral
Formula: C7H5F5N2O2
SMILES:   FC(F)(CC1=CNC(=O)NC1=O)C(F)(F)F
InChI:   InChI=1/C7H5F5N2O2/c8-6(9,7(10,11)12)1-3-2-13-5(16)14-4(3)15/h2H,1H2,(H2,13,14,15,16)

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Potential Energy
Epot(MMFF94)=6.83665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.119 g/mol  logS: -2.09089  SlogP: 2.1372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087446  Sterimol/B1: 2.43727  Sterimol/B2: 2.67394  Sterimol/B3: 3.11874
  Sterimol/B4: 5.17964  Sterimol/L: 11.6145 
 
 Surface and Volume Properties
  Accessible surface: 353.39  Positive charged surface: 121.159  Negative charged surface: 232.231  Volume: 158.75
  Hydrophobic surface: 61.7483  Hydrophilic surface: 291.6417
 
 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.