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PUBCHEM-ZINC05917383

 MMsINC code: MMs03442992
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(N1C(CCCC1C)C)C(CC)CC
InChI:   InChI=1/C13H25NO/c1-5-12(6-2)13(15)14-10(3)8-7-9-11(14)4/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=73.5284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -2.50703  SlogP: 3.2121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.272142  Sterimol/B1: 3.64406  Sterimol/B2: 4.09469  Sterimol/B3: 4.75939
  Sterimol/B4: 4.94512  Sterimol/L: 11.8858 
 
 Surface and Volume Properties
  Accessible surface: 426.537  Positive charged surface: 317.638  Negative charged surface: 108.899  Volume: 237.25
  Hydrophobic surface: 344.646  Hydrophilic surface: 81.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.