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ENAMINE-ZINC05164353

 MMsINC code: MMs01594261
Type: Neutral
Formula: C18H19FN2O3
SMILES:   Fc1ccc(cc1)/C(=N\NC(=O)COc1ccccc1OC)/CC
InChI:   InChI=1/C18H19FN2O3/c1-3-15(13-8-10-14(19)11-9-13)20-21-18(22)12-24-17-7-5-4-6-16(17)23-2/h4-11H,3,12H2,1-2H3,(H,21,22)/b20-15+

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Potential Energy
Epot(MMFF94)=118.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.359 g/mol  logS: -4.46826  SlogP: 3.1436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128804  Sterimol/B1: 2.04707  Sterimol/B2: 2.56939  Sterimol/B3: 3.59783
  Sterimol/B4: 7.77749  Sterimol/L: 18.4613 
 
 Surface and Volume Properties
  Accessible surface: 608.186  Positive charged surface: 368.493  Negative charged surface: 239.692  Volume: 314.875
  Hydrophobic surface: 516.468  Hydrophilic surface: 91.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.