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PEAKDALE-ZINC01741601

 MMsINC code: MMs02615156
Type: Neutral
Formula: C13H22N2O2
SMILES:   O=C(N1CCC(N(C(=O)CC)C2CC2)CC1)C
InChI:   InChI=1/C13H22N2O2/c1-3-13(17)15(11-4-5-11)12-6-8-14(9-7-12)10(2)16/h11-12H,3-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=45.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.331 g/mol  logS: -1.04495  SlogP: 1.3983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15563  Sterimol/B1: 2.02546  Sterimol/B2: 3.6618  Sterimol/B3: 3.86867
  Sterimol/B4: 7.76171  Sterimol/L: 13.0508 
 
 Surface and Volume Properties
  Accessible surface: 474.427  Positive charged surface: 337.611  Negative charged surface: 136.816  Volume: 250.875
  Hydrophobic surface: 360.485  Hydrophilic surface: 113.942
 
 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.