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PUBCHEM-ZINC05113430

 MMsINC code: MMs03201686
Type: Neutral
Formula: C14H36N6
SMILES:   N(CCCNCCNCCCNCCCN)CCCN
InChI:   InChI=1/C14H36N6/c15-5-1-7-17-9-3-11-19-13-14-20-12-4-10-18-8-2-6-16/h17-20H,1-16H2

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Potential Energy
Epot(MMFF94)=-11.646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.484 g/mol  logS: 1.1519  SlogP: -1.1774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00875631  Sterimol/B1: 2.18112  Sterimol/B2: 2.44288  Sterimol/B3: 2.4904
  Sterimol/B4: 3.18777  Sterimol/L: 27.5751 
 
 Surface and Volume Properties
  Accessible surface: 702.091  Positive charged surface: 635.911  Negative charged surface: 66.1802  Volume: 337.375
  Hydrophobic surface: 496.007  Hydrophilic surface: 206.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03201687
PUBCHEM-ZINC05113430