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ASINEX-ZINC01586444

 MMsINC code: MMs00255368
Type: Neutral
Formula: C6H10O6S
SMILES:   S(=O)(=O)(CCC(O)=O)CCC(O)=O
InChI:   InChI=1/C6H10O6S/c7-5(8)1-3-13(11,12)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

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Potential Energy
Epot(MMFF94)=-18.7227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.206 g/mol  logS: 0.54277  SlogP: -0.6494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396893  Sterimol/B1: 2.87186  Sterimol/B2: 3.03533  Sterimol/B3: 3.03582
  Sterimol/B4: 3.88908  Sterimol/L: 14.3254 
 
 Surface and Volume Properties
  Accessible surface: 387.6  Positive charged surface: 213.967  Negative charged surface: 173.633  Volume: 163.75
  Hydrophobic surface: 130.536  Hydrophilic surface: 257.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00255369
ASINEX-ZINC01586444