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PUBCHEM-ZINC05178753

 MMsINC code: MMs03220993
Type: Neutral
Formula: C14H36N6
SMILES:   N(CCCN)(CCCN)CCN(CCCN)CCCN
InChI:   InChI=1/C14H36N6/c15-5-1-9-19(10-2-6-16)13-14-20(11-3-7-17)12-4-8-18/h1-18H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.5078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.484 g/mol  logS: 1.04116  SlogP: -1.0144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560835  Sterimol/B1: 2.72606  Sterimol/B2: 3.36922  Sterimol/B3: 4.3491
  Sterimol/B4: 9.05743  Sterimol/L: 14.3552 
 
 Surface and Volume Properties
  Accessible surface: 650.617  Positive charged surface: 579.223  Negative charged surface: 71.3942  Volume: 328
  Hydrophobic surface: 380.462  Hydrophilic surface: 270.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03220994
PUBCHEM-ZINC05178753