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PUBCHEM-ZINC03154286

 MMsINC code: MMs03002232
Type: Neutral
Formula: C10H22O8S2
SMILES:   S(=O)(=O)(CC(O)C(O)CS(=O)(=O)CCCO)CCCO
InChI:   InChI=1/C10H22O8S2/c11-3-1-5-19(15,16)7-9(13)10(14)8-20(17,18)6-2-4-12/h9-14H,1-8H2/t9-,10+

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Potential Energy
Epot(MMFF94)=27.5005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.41 g/mol  logS: 0.59374  SlogP: -2.6974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027427  Sterimol/B1: 3.27634  Sterimol/B2: 3.41125  Sterimol/B3: 3.85491
  Sterimol/B4: 4.27003  Sterimol/L: 21.0637 
 
 Surface and Volume Properties
  Accessible surface: 569.234  Positive charged surface: 372.108  Negative charged surface: 197.126  Volume: 276.375
  Hydrophobic surface: 285.202  Hydrophilic surface: 284.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.