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PUBCHEM-ZINC02136639

 MMsINC code: MMs02875558
Type: Neutral
Formula: C15H10F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)-c1ccc(cc1)CON=C=O
InChI:   InChI=1/C15H10F3NO2/c16-15(17,18)14-3-1-2-13(8-14)12-6-4-11(5-7-12)9-21-19-10-20/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=86.7928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.244 g/mol  logS: -4.87494  SlogP: 4.7177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0405997  Sterimol/B1: 2.46669  Sterimol/B2: 3.1886  Sterimol/B3: 3.90168
  Sterimol/B4: 6.09152  Sterimol/L: 16.6262 
 
 Surface and Volume Properties
  Accessible surface: 507.949  Positive charged surface: 206.407  Negative charged surface: 290.471  Volume: 250.5
  Hydrophobic surface: 278.956  Hydrophilic surface: 228.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.