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PUBCHEM-ZINC02019999

 MMsINC code: MMs02855547
Type: Neutral
Formula: C14H15FN2O2
SMILES:   Fc1ccc(cc1)C(n1cncc1C(OCC)=O)C
InChI:   InChI=1/C14H15FN2O2/c1-3-19-14(18)13-8-16-9-17(13)10(2)11-4-6-12(15)7-5-11/h4-10H,3H2,1-2H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=48.4961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.284 g/mol  logS: -3.13506  SlogP: 2.9037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193253  Sterimol/B1: 2.81578  Sterimol/B2: 3.70292  Sterimol/B3: 3.88622
  Sterimol/B4: 7.38618  Sterimol/L: 12.2723 
 
 Surface and Volume Properties
  Accessible surface: 476.109  Positive charged surface: 290.292  Negative charged surface: 185.817  Volume: 248.875
  Hydrophobic surface: 375.749  Hydrophilic surface: 100.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.