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PUBCHEM-ZINC05688821

 MMsINC code: MMs03349225
Type: Neutral
Formula: C11H28N4
SMILES:   N(CCCNCCCNCCCN)(C)C
InChI:   InChI=1/C11H28N4/c1-15(2)11-5-10-14-9-4-8-13-7-3-6-12/h13-14H,3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.17274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.373 g/mol  logS: 0.68102  SlogP: -0.1438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201894  Sterimol/B1: 2.34651  Sterimol/B2: 2.48861  Sterimol/B3: 3.38446
  Sterimol/B4: 4.0784  Sterimol/L: 20.4086 
 
 Surface and Volume Properties
  Accessible surface: 545.493  Positive charged surface: 506.433  Negative charged surface: 39.0604  Volume: 256.625
  Hydrophobic surface: 437.21  Hydrophilic surface: 108.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03349226
PUBCHEM-ZINC05688821