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PUBCHEM-ZINC06227241

 MMsINC code: MMs03622297
Type: Neutral
Formula: C6H8S2+2
SMILES:   [SH2+]c1ccccc1[SH2+]
InChI:   InChI=1/C6H6S2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.42 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.262 g/mol  logS: -3.40464  SlogP: 0.4274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561616  Sterimol/B1: 2.32123  Sterimol/B2: 2.33203  Sterimol/B3: 3.0638
  Sterimol/B4: 4.781  Sterimol/L: 8.54853 
 
 Surface and Volume Properties
  Accessible surface: 309.387  Positive charged surface: 142.02  Negative charged surface: 167.367  Volume: 135
  Hydrophobic surface: 244.741  Hydrophilic surface: 64.646
 
 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.