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PUBCHEM-ZINC02515947

 MMsINC code: MMs02891438
Type: Ionized
Formula: C11H32N4+4
SMILES:   [NH2+](CCCC[NH3+])CCC[NH2+]CCCC[NH3+]
InChI:   InChI=1/C11H28N4/c12-6-1-3-8-14-10-5-11-15-9-4-2-7-13/h14-15H,1-13H2/p+4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.405 g/mol  logS: 0.58157  SlogP: -3.4525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152779  Sterimol/B1: 2.38123  Sterimol/B2: 2.3888  Sterimol/B3: 2.52816
  Sterimol/B4: 3.11078  Sterimol/L: 21.6942 
 
 Surface and Volume Properties
  Accessible surface: 577.796  Positive charged surface: 556.05  Negative charged surface: 21.7462  Volume: 265.375
  Hydrophobic surface: 343.138  Hydrophilic surface: 234.658
 
 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: 1
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Parent related molecule:


MMs02891437
PUBCHEM-ZINC02515947