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PUBCHEM-ZINC06068420

 MMsINC code: MMs03521310
Type: Neutral
Formula: C6H14O4S3
SMILES:   S(=O)(=O)(CCS(=O)C)CCS(=O)C
InChI:   InChI=1/C6H14O4S3/c1-11(7)3-5-13(9,10)6-4-12(2)8/h3-6H2,1-2H3/t11-,12+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.17517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.372 g/mol  logS: -0.22301  SlogP: -0.8418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347485  Sterimol/B1: 2.82998  Sterimol/B2: 3.27577  Sterimol/B3: 3.35187
  Sterimol/B4: 3.93335  Sterimol/L: 15.913 
 
 Surface and Volume Properties
  Accessible surface: 444.717  Positive charged surface: 264.81  Negative charged surface: 179.907  Volume: 197.75
  Hydrophobic surface: 318.11  Hydrophilic surface: 126.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.