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PUBCHEM-ZINC00028289

 MMsINC code: MMs02627159
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(NC1CCCCCC1CC)C
InChI:   InChI=1/C11H21NO/c1-3-10-7-5-4-6-8-11(10)12-9(2)13/h10-11H,3-8H2,1-2H3,(H,12,13)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=38.2342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -2.47382  SlogP: 2.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177476  Sterimol/B1: 2.31985  Sterimol/B2: 2.83586  Sterimol/B3: 3.80101
  Sterimol/B4: 7.40428  Sterimol/L: 11.0745 
 
 Surface and Volume Properties
  Accessible surface: 402.24  Positive charged surface: 291.916  Negative charged surface: 110.324  Volume: 204.75
  Hydrophobic surface: 341.328  Hydrophilic surface: 60.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.