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PUBCHEM-ZINC05464942

 MMsINC code: MMs03277356
Type: Neutral
Formula: C13H27NO
SMILES:   O=C(NC(CCCCC)C)C(CC)CC
InChI:   InChI=1/C13H27NO/c1-5-8-9-10-11(4)14-13(15)12(6-2)7-3/h11-12H,5-10H2,1-4H3,(H,14,15)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=9.31138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.365 g/mol  logS: -3.6063  SlogP: 3.5076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116716  Sterimol/B1: 2.83752  Sterimol/B2: 3.22228  Sterimol/B3: 4.36687
  Sterimol/B4: 6.99623  Sterimol/L: 14.5791 
 
 Surface and Volume Properties
  Accessible surface: 508.604  Positive charged surface: 386.045  Negative charged surface: 122.56  Volume: 255.25
  Hydrophobic surface: 399.785  Hydrophilic surface: 108.819
 
 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.