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PUBCHEM-ZINC06411719

 MMsINC code: MMs03714904
Type: Ionized
Formula: C18H46N4+4
SMILES:   [NH2+](CC(CC)C)CCC[NH2+]CCCCCCC[NH2+]CCC[NH3+]
InChI:   InChI=1/C18H42N4/c1-3-18(2)17-22-16-10-15-21-13-8-6-4-5-7-12-20-14-9-11-19/h18,20-22H,3-17,19H2,1-2H3/p+4/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=35.2837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.594 g/mol  logS: -1.45697  SlogP: -1.3047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00944454  Sterimol/B1: 2.46148  Sterimol/B2: 3.32924  Sterimol/B3: 3.6604
  Sterimol/B4: 3.9977  Sterimol/L: 29.3925 
 
 Surface and Volume Properties
  Accessible surface: 779.472  Positive charged surface: 713.473  Negative charged surface: 65.9987  Volume: 393
  Hydrophobic surface: 563.754  Hydrophilic surface: 215.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  Chiral centers: 1
 
 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:


MMs03714903
PUBCHEM-ZINC06411719