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PUBCHEM-ZINC03647804

 MMsINC code: MMs03033294
Type: Ionized
Formula: C10H30N4+4
SMILES:   [NH2+](CCCC[NH3+])CCC[NH2+]CCC[NH3+]
InChI:   InChI=1/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2/p+4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.8352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.378 g/mol  logS: 0.78334  SlogP: -3.8426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017406  Sterimol/B1: 2.38288  Sterimol/B2: 2.3833  Sterimol/B3: 2.51838
  Sterimol/B4: 3.10408  Sterimol/L: 20.4659 
 
 Surface and Volume Properties
  Accessible surface: 544.779  Positive charged surface: 526.169  Negative charged surface: 18.61  Volume: 249.5
  Hydrophobic surface: 310.327  Hydrophilic surface: 234.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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: 0
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Parent related molecule:


MMs03033293
PUBCHEM-ZINC03647804