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PUBCHEM-ZINC06361362

 MMsINC code: MMs03686883
Type: Neutral
Formula: C13H24N2O2
SMILES:   OCC1N(CCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C13H24N2O2/c16-10-12-8-4-5-9-15(12)13(17)14-11-6-2-1-3-7-11/h11-12,16H,1-10H2,(H,14,17)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=44.3305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -1.52109  SlogP: 1.8755  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108885  Sterimol/B1: 3.18458  Sterimol/B2: 4.17205  Sterimol/B3: 4.32087
  Sterimol/B4: 5.16987  Sterimol/L: 13.4822 
 
 Surface and Volume Properties
  Accessible surface: 472.071  Positive charged surface: 394.89  Negative charged surface: 77.1807  Volume: 248.625
  Hydrophobic surface: 413.432  Hydrophilic surface: 58.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.