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PUBCHEM-ZINC05650422

 MMsINC code: MMs03336679
Type: Neutral
Formula: C16H38N4
SMILES:   N(CCCCNCCCCNCC)CCCCNCC
InChI:   InChI=1/C16H38N4/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2/h17-20H,3-16H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-18.5138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.508 g/mol  logS: -0.52334  SlogP: 1.7252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00864435  Sterimol/B1: 2.37073  Sterimol/B2: 2.46936  Sterimol/B3: 2.67607
  Sterimol/B4: 3.1384  Sterimol/L: 28.1321 
 
 Surface and Volume Properties
  Accessible surface: 721.71  Positive charged surface: 631.239  Negative charged surface: 90.4706  Volume: 351.5
  Hydrophobic surface: 598.754  Hydrophilic surface: 122.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules


MMs03336680
PUBCHEM-ZINC05650422