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PUBCHEM-ZINC05175675

 MMsINC code: MMs03220462
Type: Neutral
Formula: C18H19FN2O2
SMILES:   Fc1ccc(cc1)/C(=N\NC(=O)COc1cc(ccc1C)C)/C
InChI:   InChI=1/C18H19FN2O2/c1-12-4-5-13(2)17(10-12)23-11-18(22)21-20-14(3)15-6-8-16(19)9-7-15/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-

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Potential Energy
Epot(MMFF94)=115.046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.36 g/mol  logS: -4.8505  SlogP: 3.36174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243818  Sterimol/B1: 2.34295  Sterimol/B2: 2.4737  Sterimol/B3: 3.54698
  Sterimol/B4: 7.91532  Sterimol/L: 15.7452 
 
 Surface and Volume Properties
  Accessible surface: 598.062  Positive charged surface: 342.768  Negative charged surface: 255.295  Volume: 306.5
  Hydrophobic surface: 531.896  Hydrophilic surface: 66.166
 
 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.