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PUBCHEM-ZINC02568843

 MMsINC code: MMs02902393
Type: Neutral
Formula: C7H3F7N2O2
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C1=CNC(=O)NC1=O
InChI:   InChI=1/C7H3F7N2O2/c8-5(9,6(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)=5.53078 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: 0.0853529  Sterimol/B1: 2.49152  Sterimol/B2: 3.25605  Sterimol/B3: 3.32448
  Sterimol/B4: 5.06829  Sterimol/L: 11.6162 
 
 Surface and Volume Properties
  Accessible surface: 356.583  Positive charged surface: 98.6069  Negative charged surface: 257.976  Volume: 164.75
  Hydrophobic surface: 34.8081  Hydrophilic surface: 321.7749
 
 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.