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ENAMINE-ZINC00486458

 MMsINC code: MMs01231412
Type: Neutral
Formula: C17H17FN2O2
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)COc1ccc(cc1)CC
InChI:   InChI=1/C17H17FN2O2/c1-2-13-5-9-16(10-6-13)22-12-17(21)20-19-11-14-3-7-15(18)8-4-14/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+

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Potential Energy
Epot(MMFF94)=88.6516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.333 g/mol  logS: -4.89909  SlogP: 2.91717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0095029  Sterimol/B1: 2.0405  Sterimol/B2: 3.41505  Sterimol/B3: 3.58877
  Sterimol/B4: 4.60985  Sterimol/L: 21.0125 
 
 Surface and Volume Properties
  Accessible surface: 596.201  Positive charged surface: 349.931  Negative charged surface: 246.271  Volume: 291.625
  Hydrophobic surface: 475.892  Hydrophilic surface: 120.309
 
 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.