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IBS-ZINC00243868

 MMsINC code: MMs01733589
Type: Neutral
Formula: C16H15FN2O2
SMILES:   Fc1ccccc1\C=N\NC(=O)C(Oc1ccccc1)C
InChI:   InChI=1/C16H15FN2O2/c1-12(21-14-8-3-2-4-9-14)16(20)19-18-11-13-7-5-6-10-15(13)17/h2-12H,1H3,(H,19,20)/b18-11+/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=97.8052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.306 g/mol  logS: -4.23716  SlogP: 2.7433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0268674  Sterimol/B1: 2.40767  Sterimol/B2: 2.41158  Sterimol/B3: 4.52095
  Sterimol/B4: 5.38764  Sterimol/L: 18.4381 
 
 Surface and Volume Properties
  Accessible surface: 540.368  Positive charged surface: 309.248  Negative charged surface: 231.12  Volume: 270.375
  Hydrophobic surface: 443.257  Hydrophilic surface: 97.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.