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PUBCHEM-ZINC05113133

 MMsINC code: MMs03201484
Type: Neutral
Formula: C14H36N6
SMILES:   N(CCCCCCN(CCN)CCN)(CCN)CCN
InChI:   InChI=1/C14H36N6/c15-5-11-19(12-6-16)9-3-1-2-4-10-20(13-7-17)14-8-18/h1-18H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.559 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: 0.0949548  Sterimol/B1: 4.2827  Sterimol/B2: 4.29797  Sterimol/B3: 4.46254
  Sterimol/B4: 4.95384  Sterimol/L: 17.2973 
 
 Surface and Volume Properties
  Accessible surface: 650.586  Positive charged surface: 581.697  Negative charged surface: 68.8897  Volume: 328.25
  Hydrophobic surface: 381.303  Hydrophilic surface: 269.283
 
 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


MMs03201485
PUBCHEM-ZINC05113133