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PUBCHEM-ZINC05529515

 MMsINC code: MMs03299283
Type: Neutral
Formula: C13H23NO
SMILES:   O=C(N1CC(CC(C1)C)C)C1CCCC1
InChI:   InChI=1/C13H23NO/c1-10-7-11(2)9-14(8-10)13(15)12-5-3-4-6-12/h10-12H,3-9H2,1-2H3/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=37.3042 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.333 g/mol  logS: -2.15411  SlogP: 2.6811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131915  Sterimol/B1: 2.20843  Sterimol/B2: 2.39227  Sterimol/B3: 4.72936
  Sterimol/B4: 5.60446  Sterimol/L: 12.9649 
 
 Surface and Volume Properties
  Accessible surface: 433.837  Positive charged surface: 334.978  Negative charged surface: 98.8596  Volume: 231.25
  Hydrophobic surface: 371.356  Hydrophilic surface: 62.481
 
 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.