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CHEMBRIDGE-ZINC00061018

 MMsINC code: MMs00585301
Type: Neutral
Formula: C11H8F3NO2
SMILES:   FC(F)(F)c1onc(c1)-c1cc(ccc1O)C
InChI:   InChI=1/C11H8F3NO2/c1-6-2-3-9(16)7(4-6)8-5-10(17-15-8)11(12,13)14/h2-5,16H,1H3

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Potential Energy
Epot(MMFF94)=64.3935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.184 g/mol  logS: -3.74785  SlogP: 3.68592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019756  Sterimol/B1: 2.3786  Sterimol/B2: 2.50026  Sterimol/B3: 2.74434
  Sterimol/B4: 5.76057  Sterimol/L: 13.0668 
 
 Surface and Volume Properties
  Accessible surface: 413.044  Positive charged surface: 159.983  Negative charged surface: 253.061  Volume: 194.75
  Hydrophobic surface: 238.856  Hydrophilic surface: 174.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.