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PUBCHEM-ZINC05821190

 MMsINC code: MMs03400223
Type: Neutral
Formula: C16H36N2
SMILES:   N(N(CCCC)CCCC)(CCCC)CCCC
InChI:   InChI=1/C16H36N2/c1-5-9-13-17(14-10-6-2)18(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.478 g/mol  logS: -3.20116  SlogP: 4.7058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.321041  Sterimol/B1: 2.30481  Sterimol/B2: 3.29519  Sterimol/B3: 5.92502
  Sterimol/B4: 8.4297  Sterimol/L: 13.1192 
 
 Surface and Volume Properties
  Accessible surface: 595.441  Positive charged surface: 474.785  Negative charged surface: 120.656  Volume: 316.625
  Hydrophobic surface: 502.959  Hydrophilic surface: 92.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.