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ENAMINE-ZINC00176576

 MMsINC code: MMs01226196
Type: Neutral
Formula: C16H9F2NO2
SMILES:   Fc1ccccc1\C=C/1\N=C(OC\1=O)c1cc(F)ccc1
InChI:   InChI=1/C16H9F2NO2/c17-12-6-3-5-11(8-12)15-19-14(16(20)21-15)9-10-4-1-2-7-13(10)18/h1-9H/b14-9+

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Potential Energy
Epot(MMFF94)=75.8227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.249 g/mol  logS: -5.64697  SlogP: 3.3093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0192266  Sterimol/B1: 2.14325  Sterimol/B2: 2.44718  Sterimol/B3: 3.32063
  Sterimol/B4: 5.18545  Sterimol/L: 16.3064 
 
 Surface and Volume Properties
  Accessible surface: 483.465  Positive charged surface: 234.696  Negative charged surface: 248.77  Volume: 246.375
  Hydrophobic surface: 418.977  Hydrophilic surface: 64.488
 
 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.