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PUBCHEM-ZINC05178755

 MMsINC code: MMs03220996
Type: Ionized
Formula: C12H36N5+5
SMILES:   [NH2+](CCC[NH2+]CCC[NH3+])CCC[NH2+]CCC[NH3+]
InChI:   InChI=1/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2/p+5

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Potential Energy
Epot(MMFF94)=57.5211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.455 g/mol  logS: 1.04079  SlogP: -5.2792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121541  Sterimol/B1: 2.20719  Sterimol/B2: 2.38183  Sterimol/B3: 2.38284
  Sterimol/B4: 3.37628  Sterimol/L: 24.192 
 
 Surface and Volume Properties
  Accessible surface: 638.475  Positive charged surface: 621.602  Negative charged surface: 16.8727  Volume: 301.375
  Hydrophobic surface: 367.857  Hydrophilic surface: 270.618
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03220995
PUBCHEM-ZINC05178755