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PUBCHEM-ZINC05535216

 MMsINC code: MMs03300959
Type: Neutral
Formula: C12H30N2S2+2
SMILES:   S(CC[N+](C)(C)C)CCSCC[N+](C)(C)C
InChI:   InChI=1/C12H30N2S2/c1-13(2,3)7-9-15-11-12-16-10-8-14(4,5)6/h7-12H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=95.9579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.518 g/mol  logS: -1.10932  SlogP: 1.8652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363663  Sterimol/B1: 2.31302  Sterimol/B2: 2.37429  Sterimol/B3: 3.8904
  Sterimol/B4: 4.77483  Sterimol/L: 19.0409 
 
 Surface and Volume Properties
  Accessible surface: 566.869  Positive charged surface: 502.802  Negative charged surface: 64.0672  Volume: 293.875
  Hydrophobic surface: 390.203  Hydrophilic surface: 176.666
 
 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.