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CHEMBRIDGE-ZINC04810687

 MMsINC code: MMs00789244
Type: Neutral
Formula: C14H20N2O4
SMILES:   o1cccc1C(=O)N1CCN(CC1)C(OC(C)(C)C)=O
InChI:   InChI=1/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12(17)11-5-4-10-19-11/h4-5,10H,6-9H2,1-3H3

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Potential Energy
Epot(MMFF94)=71.4356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.324 g/mol  logS: -2.45046  SlogP: 1.9725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053138  Sterimol/B1: 2.45677  Sterimol/B2: 3.09015  Sterimol/B3: 4.73119
  Sterimol/B4: 5.3801  Sterimol/L: 16.4163 
 
 Surface and Volume Properties
  Accessible surface: 522.057  Positive charged surface: 356.184  Negative charged surface: 165.873  Volume: 269.625
  Hydrophobic surface: 414.334  Hydrophilic surface: 107.723
 
 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.