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PUBCHEM-ZINC06042963

 MMsINC code: MMs03509564
Type: Neutral
Formula: C14H28N2O
SMILES:   O=C(N1CCN(CC1)CC)C(CCCC)CC
InChI:   InChI=1/C14H28N2O/c1-4-7-8-13(5-2)14(17)16-11-9-15(6-3)10-12-16/h13H,4-12H2,1-3H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=57.5537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.391 g/mol  logS: -2.50284  SlogP: 2.3669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799764  Sterimol/B1: 2.91343  Sterimol/B2: 3.32998  Sterimol/B3: 4.53998
  Sterimol/B4: 5.21943  Sterimol/L: 16.5047 
 
 Surface and Volume Properties
  Accessible surface: 502.249  Positive charged surface: 400.794  Negative charged surface: 101.455  Volume: 271.75
  Hydrophobic surface: 412.786  Hydrophilic surface: 89.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs03509565
PUBCHEM-ZINC06042963