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ASINEX-ZINC04714081

 MMsINC code: MMs00363669
Type: Neutral
Formula: C16H9F2NO2
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C\c1cc(F)ccc1
InChI:   InChI=1/C16H9F2NO2/c17-11-5-3-4-10(8-11)9-14-16(20)21-15(19-14)12-6-1-2-7-13(12)18/h1-9H/b14-9-

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Potential Energy
Epot(MMFF94)=77.1777 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: 0.000493018  Sterimol/B1: 2.11672  Sterimol/B2: 2.26328  Sterimol/B3: 4.48191
  Sterimol/B4: 5.9169  Sterimol/L: 15.1234 
 
 Surface and Volume Properties
  Accessible surface: 476.23  Positive charged surface: 225.7  Negative charged surface: 250.53  Volume: 246.5
  Hydrophobic surface: 398.283  Hydrophilic surface: 77.947
 
 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.