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ENAMINE-ZINC04933279

 MMsINC code: MMs01566494
Type: Neutral
Formula: C13H11FN2O
SMILES:   Fc1ccc(N\N=C\c2ccc(O)cc2)cc1
InChI:   InChI=1/C13H11FN2O/c14-11-3-5-12(6-4-11)16-15-9-10-1-7-13(17)8-2-10/h1-9,16-17H/b15-9+

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Potential Energy
Epot(MMFF94)=58.3605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.242 g/mol  logS: -2.93994  SlogP: 2.9773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00160265  Sterimol/B1: 2.15456  Sterimol/B2: 2.19098  Sterimol/B3: 2.56363
  Sterimol/B4: 5.56695  Sterimol/L: 15.2346 
 
 Surface and Volume Properties
  Accessible surface: 456.382  Positive charged surface: 247.572  Negative charged surface: 208.809  Volume: 216.875
  Hydrophobic surface: 362.861  Hydrophilic surface: 93.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.