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ENAMINE-ZINC03578240

 MMsINC code: MMs01516440
Type: Neutral
Formula: C17H17FN2O2
SMILES:   Fc1cc(ccc1)\C=N\NC(=O)COc1cc(ccc1C)C
InChI:   InChI=1/C17H17FN2O2/c1-12-6-7-13(2)16(8-12)22-11-17(21)20-19-10-14-4-3-5-15(18)9-14/h3-10H,11H2,1-2H3,(H,20,21)/b19-10+

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Potential Energy
Epot(MMFF94)=89.2262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.333 g/mol  logS: -4.54434  SlogP: 2.97164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00494778  Sterimol/B1: 2.0951  Sterimol/B2: 2.51233  Sterimol/B3: 2.5162
  Sterimol/B4: 7.62098  Sterimol/L: 18.7175 
 
 Surface and Volume Properties
  Accessible surface: 587.104  Positive charged surface: 343.977  Negative charged surface: 243.127  Volume: 292
  Hydrophobic surface: 499.64  Hydrophilic surface: 87.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.