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CHEMBRIDGE-ZINC00225083

 MMsINC code: MMs00596604
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C(N1CC2(CC(C1)(CN(C2)C(=O)C)C)C)C
InChI:   InChI=1/C13H22N2O2/c1-10(16)14-6-12(3)5-13(4,7-14)9-15(8-12)11(2)17/h5-9H2,1-4H3/t12-,13+

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Potential Energy
Epot(MMFF94)=67.1476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -0.79407  SlogP: 1.1133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.431766  Sterimol/B1: 2.84869  Sterimol/B2: 3.14974  Sterimol/B3: 4.96095
  Sterimol/B4: 6.36622  Sterimol/L: 9.34211 
 
 Surface and Volume Properties
  Accessible surface: 410.149  Positive charged surface: 297.363  Negative charged surface: 112.787  Volume: 238.875
  Hydrophobic surface: 326.425  Hydrophilic surface: 83.724
 
 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.