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ENAMINE-ZINC03580707

 MMsINC code: MMs01517356
Type: Neutral
Formula: C17H17FN2O2
SMILES:   Fc1ccc(OCC(=O)N\N=C\c2ccc(cc2)CC)cc1
InChI:   InChI=1/C17H17FN2O2/c1-2-13-3-5-14(6-4-13)11-19-20-17(21)12-22-16-9-7-15(18)8-10-16/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+

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Potential Energy
Epot(MMFF94)=87.2765 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: 0.00926629  Sterimol/B1: 2.07418  Sterimol/B2: 3.27693  Sterimol/B3: 3.48167
  Sterimol/B4: 5.05106  Sterimol/L: 20.9985 
 
 Surface and Volume Properties
  Accessible surface: 592.418  Positive charged surface: 346.744  Negative charged surface: 245.674  Volume: 291.625
  Hydrophobic surface: 475.634  Hydrophilic surface: 116.784
 
 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.