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PUBCHEM-ZINC06261892

 MMsINC code: MMs03645132
Type: Neutral
Formula: C13H24N2O2
SMILES:   O1CCN(CC1)C(=O)NC1CCCCCCC1
InChI:   InChI=1/C13H24N2O2/c16-13(15-8-10-17-11-9-15)14-12-6-4-2-1-3-5-7-12/h12H,1-11H2,(H,14,16)

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Potential Energy
Epot(MMFF94)=77.8747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -2.2914  SlogP: 2.1411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118001  Sterimol/B1: 2.66344  Sterimol/B2: 3.18623  Sterimol/B3: 4.83207
  Sterimol/B4: 4.90295  Sterimol/L: 13.3601 
 
 Surface and Volume Properties
  Accessible surface: 467.8  Positive charged surface: 381.758  Negative charged surface: 86.0417  Volume: 246.625
  Hydrophobic surface: 422.46  Hydrophilic surface: 45.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.