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PUBCHEM-ZINC02384215

 MMsINC code: MMs02886347
Type: Neutral
Formula: C12H23NO2
SMILES:   O(C(=O)C(N)CCC1CCCCC1)CC
InChI:   InChI=1/C12H23NO2/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=31.6818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -3.53554  SlogP: 2.2373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959612  Sterimol/B1: 2.31977  Sterimol/B2: 3.32381  Sterimol/B3: 4.38261
  Sterimol/B4: 6.38601  Sterimol/L: 14.813 
 
 Surface and Volume Properties
  Accessible surface: 477.518  Positive charged surface: 377.8  Negative charged surface: 99.7176  Volume: 233.875
  Hydrophobic surface: 370.212  Hydrophilic surface: 107.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.