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PUBCHEM-ZINC02042735

 MMsINC code: MMs02863762
Type: Neutral
Formula: C14H27NO2
SMILES:   OC(=O)C(NCC)CCCCC1CCCCC1
InChI:   InChI=1/C14H27NO2/c1-2-15-13(14(16)17)11-7-6-10-12-8-4-3-5-9-12/h12-13,15H,2-11H2,1H3,(H,16,17)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.375 g/mol  logS: -4.22923  SlogP: 3.1898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681713  Sterimol/B1: 2.07726  Sterimol/B2: 3.28845  Sterimol/B3: 4.28886
  Sterimol/B4: 7.54598  Sterimol/L: 15.2846 
 
 Surface and Volume Properties
  Accessible surface: 529.501  Positive charged surface: 410.054  Negative charged surface: 119.447  Volume: 266
  Hydrophobic surface: 411.573  Hydrophilic surface: 117.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.