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NCID-ZINC01631667

 MMsINC code: MMs02276529
Type: Neutral
Formula: C7H3F7N2O2
SMILES:   FC(C(F)(F)F)(C(F)(F)F)C1=CNC(=O)NC1=O
InChI:   InChI=1/C7H3F7N2O2/c8-5(6(9,10)11,7(12,13)14)2-1-15-4(18)16-3(2)17/h1H,(H2,15,16,17,18)

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Potential Energy
Epot(MMFF94)=3.50765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.099 g/mol  logS: -2.91231  SlogP: 2.8023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221073  Sterimol/B1: 2.50261  Sterimol/B2: 3.88765  Sterimol/B3: 3.88765
  Sterimol/B4: 5.04673  Sterimol/L: 10.61 
 
 Surface and Volume Properties
  Accessible surface: 348.162  Positive charged surface: 98.5554  Negative charged surface: 249.607  Volume: 163.625
  Hydrophobic surface: 30.3017  Hydrophilic surface: 317.8603
 
 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.