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NCID-ZINC01763010

 MMsINC code: MMs02368301
Type: Neutral
Formula: C4H10O6S2
SMILES:   S(O)(=O)(=O)CCCCS(O)(=O)=O
InChI:   InChI=1/C4H10O6S2/c5-11(6,7)3-1-2-4-12(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

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Potential Energy
Epot(MMFF94)=-10.0485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.25 g/mol  logS: -0.03518  SlogP: -1.5892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641806  Sterimol/B1: 2.45624  Sterimol/B2: 3.04649  Sterimol/B3: 3.04767
  Sterimol/B4: 3.24836  Sterimol/L: 13.3673 
 
 Surface and Volume Properties
  Accessible surface: 377.973  Positive charged surface: 179.935  Negative charged surface: 198.038  Volume: 155.625
  Hydrophobic surface: 129.719  Hydrophilic surface: 248.254
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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


MMs02368302
NCID-ZINC01763010