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PUBCHEM-ZINC05591102

 MMsINC code: MMs03315755
Type: Neutral
Formula: C11H23NO
SMILES:   O=C(NC(C)C)C(CCCC)CC
InChI:   InChI=1/C11H23NO/c1-5-7-8-10(6-2)11(13)12-9(3)4/h9-10H,5-8H2,1-4H3,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=11.5222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.311 g/mol  logS: -2.88931  SlogP: 2.7274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767652  Sterimol/B1: 2.2931  Sterimol/B2: 2.86538  Sterimol/B3: 3.16088
  Sterimol/B4: 8.14328  Sterimol/L: 13.2009 
 
 Surface and Volume Properties
  Accessible surface: 457.223  Positive charged surface: 341.583  Negative charged surface: 115.639  Volume: 218.875
  Hydrophobic surface: 344.782  Hydrophilic surface: 112.441
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.