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ENAMINE-ZINC03210009

 MMsINC code: MMs01307290
Type: Neutral
Formula: C18H14FNO2
SMILES:   Fc1ccccc1C=1OC(=O)/C(/N=1)=C\c1ccc(cc1)CC
InChI:   InChI=1/C18H14FNO2/c1-2-12-7-9-13(10-8-12)11-16-18(21)22-17(20-16)14-5-3-4-6-15(14)19/h3-11H,2H2,1H3/b16-11+

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Potential Energy
Epot(MMFF94)=83.2047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.313 g/mol  logS: -6.34113  SlogP: 3.73257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205649  Sterimol/B1: 2.42988  Sterimol/B2: 2.63472  Sterimol/B3: 3.80657
  Sterimol/B4: 5.47891  Sterimol/L: 18.0355 
 
 Surface and Volume Properties
  Accessible surface: 533.454  Positive charged surface: 303.755  Negative charged surface: 229.699  Volume: 279.75
  Hydrophobic surface: 445.826  Hydrophilic surface: 87.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.