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PUBCHEM-ZINC05464416

 MMsINC code: MMs03277212
Type: Neutral
Formula: C14H28N2O
SMILES:   O=C(NC1CCCCC1)NC(CCCCC)C
InChI:   InChI=1/C14H28N2O/c1-3-4-6-9-12(2)15-14(17)16-13-10-7-5-8-11-13/h12-13H,3-11H2,1-2H3,(H2,15,16,17)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=-18.6098 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.391 g/mol  logS: -3.47732  SlogP: 3.5871  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0609062  Sterimol/B1: 2.54618  Sterimol/B2: 3.065  Sterimol/B3: 3.70135
  Sterimol/B4: 7.76793  Sterimol/L: 16.245 
 
 Surface and Volume Properties
  Accessible surface: 545.288  Positive charged surface: 432.982  Negative charged surface: 112.306  Volume: 272.625
  Hydrophobic surface: 452.202  Hydrophilic surface: 93.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.