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NCID-ZINC01562782

 MMsINC code: MMs02224681
Type: Neutral
Formula: C8H8O2S3
SMILES:   S(C(S(=O)(=O)C)=S)c1ccccc1
InChI:   InChI=1/C8H8O2S3/c1-13(9,10)8(11)12-7-5-3-2-4-6-7/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.348 g/mol  logS: -4.214  SlogP: 2.1082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618691  Sterimol/B1: 3.09372  Sterimol/B2: 3.42127  Sterimol/B3: 4.05988
  Sterimol/B4: 4.56836  Sterimol/L: 12.4636 
 
 Surface and Volume Properties
  Accessible surface: 397.661  Positive charged surface: 163.956  Negative charged surface: 233.705  Volume: 191.25
  Hydrophobic surface: 254.967  Hydrophilic surface: 142.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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.