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ACROSORGANICS-ZINC01532734

 MMsINC code: MMs00009074
Type: Tautomer
Formula: C10H30N4+4
SMILES:   [NH2+](CCCC[NH2+]CCC[NH3+])CCC[NH3+]
InChI:   InChI=1/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2/p+4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.2553 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: 0.0173518  Sterimol/B1: 2.34296  Sterimol/B2: 2.38074  Sterimol/B3: 2.38577
  Sterimol/B4: 3.10335  Sterimol/L: 20.5205 
 
 Surface and Volume Properties
  Accessible surface: 550.035  Positive charged surface: 534.901  Negative charged surface: 15.134  Volume: 248
  Hydrophobic surface: 315.372  Hydrophilic surface: 234.663
 
 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:


MMs00009073
ACROSORGANICS-ZINC01532734