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PUBCHEM-ZINC05382695

 MMsINC code: MMs03253167
Type: Ionized
Formula: C4H7O6S2-
SMILES:   S(OC1CS(=O)(=O)CC1O)(=O)[O-]
InChI:   InChI=1/C4H8O6S2/c5-3-1-12(8,9)2-4(3)10-11(6)7/h3-5H,1-2H2,(H,6,7)/p-1/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-8.98266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.226 g/mol  logS: -0.14412  SlogP: -2.045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20557  Sterimol/B1: 2.24684  Sterimol/B2: 2.6692  Sterimol/B3: 3.59774
  Sterimol/B4: 4.90293  Sterimol/L: 10.2783 
 
 Surface and Volume Properties
  Accessible surface: 329.564  Positive charged surface: 147.464  Negative charged surface: 182.099  Volume: 141.5
  Hydrophobic surface: 118.533  Hydrophilic surface: 211.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  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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MMs03253166
PUBCHEM-ZINC05382695