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PUBCHEM-ZINC05501588

 MMsINC code: MMs03288977
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NC(CC)CC)C(CC)(C)C
InChI:   InChI=1/C11H23NO/c1-6-9(7-2)12-10(13)11(4,5)8-3/h9H,6-8H2,1-5H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=29.1881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -1.94896  SlogP: 2.7274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139092  Sterimol/B1: 2.46727  Sterimol/B2: 3.09428  Sterimol/B3: 3.89606
  Sterimol/B4: 7.03963  Sterimol/L: 11.9992 
 
 Surface and Volume Properties
  Accessible surface: 419.735  Positive charged surface: 300.565  Negative charged surface: 119.17  Volume: 216.875
  Hydrophobic surface: 311.084  Hydrophilic surface: 108.651
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.