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NCID-ZINC01586457

 MMsINC code: MMs02242564
Type: Neutral
Formula: C10H18O6S
SMILES:   S(=O)(=O)(CCC(OCC)=O)CCC(OCC)=O
InChI:   InChI=1/C10H18O6S/c1-3-15-9(11)5-7-17(13,14)8-6-10(12)16-4-2/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=-2.61013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.314 g/mol  logS: -0.93631  SlogP: 0.3076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0177659  Sterimol/B1: 3.03573  Sterimol/B2: 3.03645  Sterimol/B3: 3.17733
  Sterimol/B4: 3.58358  Sterimol/L: 19.7101 
 
 Surface and Volume Properties
  Accessible surface: 529.665  Positive charged surface: 352.474  Negative charged surface: 177.191  Volume: 239.25
  Hydrophobic surface: 344.577  Hydrophilic surface: 185.088
 
 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.