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PUBCHEM-ZINC00477526

 MMsINC code: MMs02688567
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(NC1CCCC1)C(CCC)C
InChI:   InChI=1/C11H21NO/c1-3-6-9(2)11(13)12-10-7-4-5-8-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=14.7919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -2.16037  SlogP: 2.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0684845  Sterimol/B1: 2.79203  Sterimol/B2: 3.1509  Sterimol/B3: 3.44343
  Sterimol/B4: 4.55057  Sterimol/L: 14.219 
 
 Surface and Volume Properties
  Accessible surface: 436.187  Positive charged surface: 327.927  Negative charged surface: 108.26  Volume: 208.375
  Hydrophobic surface: 362.292  Hydrophilic surface: 73.895
 
 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.