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PUBCHEM-ZINC06761038

 MMsINC code: MMs03854324
Type: Neutral
Formula: C6H10O8S
SMILES:   S(OC1COC(CC1O)C(O)=O)(O)(=O)=O
InChI:   InChI=1/C6H10O8S/c7-3-1-4(6(8)9)13-2-5(3)14-15(10,11)12/h3-5,7H,1-2H2,(H,8,9)(H,10,11,12)/t3-,4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=21.5576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.204 g/mol  logS: -0.1522  SlogP: -2.1569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181371  Sterimol/B1: 3.72162  Sterimol/B2: 3.77712  Sterimol/B3: 4.05855
  Sterimol/B4: 4.77191  Sterimol/L: 11.4857 
 
 Surface and Volume Properties
  Accessible surface: 384.422  Positive charged surface: 218.475  Negative charged surface: 165.948  Volume: 171.5
  Hydrophobic surface: 108.345  Hydrophilic surface: 276.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03854325
PUBCHEM-ZINC06761038