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CHEMBRIDGE-ZINC00439864

 MMsINC code: MMs00615754
Type: Neutral
Formula: C17H17FN2O3
SMILES:   Fc1ccc(OCC(=O)N\N=C\c2ccc(OCC)cc2)cc1
InChI:   InChI=1/C17H17FN2O3/c1-2-22-15-7-3-13(4-8-15)11-19-20-17(21)12-23-16-9-5-14(18)6-10-16/h3-11H,2,12H2,1H3,(H,20,21)/b19-11+

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Potential Energy
Epot(MMFF94)=95.4432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.332 g/mol  logS: -4.28754  SlogP: 2.7535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00361085  Sterimol/B1: 2.37506  Sterimol/B2: 2.37767  Sterimol/B3: 2.92994
  Sterimol/B4: 6.08376  Sterimol/L: 21.6366 
 
 Surface and Volume Properties
  Accessible surface: 608.701  Positive charged surface: 364.844  Negative charged surface: 243.857  Volume: 298.375
  Hydrophobic surface: 484.955  Hydrophilic surface: 123.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.