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PUBCHEM-ZINC00398654

 MMsINC code: MMs02674829
Type: Neutral
Formula: C14H10F3NO2
SMILES:   Fc1ccccc1COC(=O)Nc1cc(F)ccc1F
InChI:   InChI=1/C14H10F3NO2/c15-10-5-6-12(17)13(7-10)18-14(19)20-8-9-3-1-2-4-11(9)16/h1-7H,8H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=40.7631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.233 g/mol  logS: -4.31663  SlogP: 4.119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128924  Sterimol/B1: 2.28619  Sterimol/B2: 2.60232  Sterimol/B3: 2.95987
  Sterimol/B4: 5.47264  Sterimol/L: 16.2203 
 
 Surface and Volume Properties
  Accessible surface: 485.879  Positive charged surface: 238.887  Negative charged surface: 246.992  Volume: 235.125
  Hydrophobic surface: 430.604  Hydrophilic surface: 55.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.