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PUBCHEM-ZINC05113430

 MMsINC code: MMs03201687
Type: Ionized
Formula: C14H41N6+5
SMILES:   [NH2+](CCCNCC[NH2+]CCC[NH2+]CCC[NH3+])CCC[NH3+]
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/p+5

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Potential Energy
Epot(MMFF94)=56.6864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.524 g/mol  logS: 1.27385  SlogP: -5.6896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00959618  Sterimol/B1: 2.44274  Sterimol/B2: 2.59351  Sterimol/B3: 2.89705
  Sterimol/B4: 3.10751  Sterimol/L: 27.8465 
 
 Surface and Volume Properties
  Accessible surface: 730.518  Positive charged surface: 707.715  Negative charged surface: 22.8031  Volume: 348.375
  Hydrophobic surface: 441.709  Hydrophilic surface: 288.809
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 5
  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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Parent related molecule:


MMs03201686
PUBCHEM-ZINC05113430