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NCID-ZINC01676167

 MMsINC code: MMs02311399
Type: Neutral
Formula: C8H8O4S2
SMILES:   S(SC(OC)=O)(=O)(=O)c1ccccc1
InChI:   InChI=1/C8H8O4S2/c1-12-8(9)13-14(10,11)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)=11.1348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -3.0935  SlogP: 1.8749  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100059  Sterimol/B1: 2.55965  Sterimol/B2: 3.2795  Sterimol/B3: 4.12007
  Sterimol/B4: 5.82332  Sterimol/L: 12.0101 
 
 Surface and Volume Properties
  Accessible surface: 396.42  Positive charged surface: 198.571  Negative charged surface: 197.849  Volume: 185.625
  Hydrophobic surface: 263.587  Hydrophilic surface: 132.833
 
 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.