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PUBCHEM-ZINC06761853

 MMsINC code: MMs03855174
Type: Neutral
Formula: C10H24S2+2
SMILES:   [SH+](C(C)(C)C)CC[SH+]C(C)(C)C
InChI:   InChI=1/C10H22S2/c1-9(2,3)11-7-8-12-10(4,5)6/h7-8H2,1-6H3/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.2726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.434 g/mol  logS: -3.26996  SlogP: 2.2132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964248  Sterimol/B1: 2.37541  Sterimol/B2: 2.40084  Sterimol/B3: 3.98095
  Sterimol/B4: 4.87316  Sterimol/L: 14.2097 
 
 Surface and Volume Properties
  Accessible surface: 460.505  Positive charged surface: 315.972  Negative charged surface: 144.533  Volume: 234
  Hydrophobic surface: 318.627  Hydrophilic surface: 141.878
 
 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.