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ACROSORGANICS-ZINC06344696

 MMsINC code: MMs00018836
Type: Neutral
Formula: C6H6O2S2
SMILES:   S(=S)(O)(=O)c1ccccc1
InChI:   InChI=1/C6H6O2S2/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.0805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.244 g/mol  logS: -2.68823  SlogP: 0.6991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458617  Sterimol/B1: 2.96943  Sterimol/B2: 3.38964  Sterimol/B3: 3.59465
  Sterimol/B4: 4.27014  Sterimol/L: 9.98781 
 
 Surface and Volume Properties
  Accessible surface: 327.082  Positive charged surface: 120.317  Negative charged surface: 206.765  Volume: 139.875
  Hydrophobic surface: 184.594  Hydrophilic surface: 142.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules: no related molecules available.