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FDA-ZINC01530572

 MMsINC code: MMs01725465
Type: Neutral
Formula: C6H14O6S2
SMILES:   S(OCCCCOS(=O)(=O)C)(=O)(=O)C
InChI:   InChI=1/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=27.2802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.304 g/mol  logS: -0.72554  SlogP: -0.281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055486  Sterimol/B1: 2.17932  Sterimol/B2: 3.01665  Sterimol/B3: 3.53117
  Sterimol/B4: 4.41204  Sterimol/L: 14.2001 
 
 Surface and Volume Properties
  Accessible surface: 443.453  Positive charged surface: 230.568  Negative charged surface: 212.885  Volume: 191.75
  Hydrophobic surface: 273.17  Hydrophilic surface: 170.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.