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PUBCHEM-ZINC05955295

 MMsINC code: MMs03458995
Type: Neutral
Formula: C16H38N2S2+2
SMILES:   S(SCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC
InChI:   InChI=1/C16H38N2S2/c1-7-17(8-2,9-3)13-15-19-20-16-14-18(10-4,11-5)12-6/h7-16H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=148.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.626 g/mol  logS: -3.1845  SlogP: 4.1208  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0745957  Sterimol/B1: 2.8339  Sterimol/B2: 3.57799  Sterimol/B3: 4.72653
  Sterimol/B4: 5.3393  Sterimol/L: 16.7058 
 
 Surface and Volume Properties
  Accessible surface: 578.931  Positive charged surface: 406.79  Negative charged surface: 172.142  Volume: 357
  Hydrophobic surface: 368.731  Hydrophilic surface: 210.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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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Ions/Tautomers related molecules: no related molecules available.