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CHEMBLOCK-ZINC00066830

 MMsINC code: MMs00493253
Type: Neutral
Formula: C14H10F3NO
SMILES:   FC(F)(F)c1cc(\N=C\c2ccccc2O)ccc1
InChI:   InChI=1/C14H10F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h1-9,19H/b18-9+

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Potential Energy
Epot(MMFF94)=69.8189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.234 g/mol  logS: -4.00422  SlogP: 4.4731  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431101  Sterimol/B1: 2.82213  Sterimol/B2: 3.4945  Sterimol/B3: 3.71376
  Sterimol/B4: 4.76299  Sterimol/L: 14.9524 
 
 Surface and Volume Properties
  Accessible surface: 470.622  Positive charged surface: 218.061  Negative charged surface: 252.561  Volume: 229.25
  Hydrophobic surface: 314.749  Hydrophilic surface: 155.873
 
 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.