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ENAMINE-ZINC03434548

 MMsINC code: MMs01439747
Type: Neutral
Formula: C17H18F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)Nc1cc(OCC)c(OCC)cc1
InChI:   InChI=1/C17H18F2N2O3/c1-3-23-15-8-6-12(10-16(15)24-4-2)20-17(22)21-14-7-5-11(18)9-13(14)19/h5-10H,3-4H2,1-2H3,(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=78.2004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.338 g/mol  logS: -4.59719  SlogP: 4.4062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405702  Sterimol/B1: 2.5683  Sterimol/B2: 3.33076  Sterimol/B3: 3.70062
  Sterimol/B4: 9.27854  Sterimol/L: 16.9707 
 
 Surface and Volume Properties
  Accessible surface: 601.93  Positive charged surface: 380.846  Negative charged surface: 221.084  Volume: 301.875
  Hydrophobic surface: 485.917  Hydrophilic surface: 116.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.