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PUBCHEM-ZINC05134385

 MMsINC code: MMs03209340
Type: Neutral
Formula: C7H14O5S3
SMILES:   S1CC(S(=O)(=O)CCCS(O)(=O)=O)CC1
InChI:   InChI=1/C7H14O5S3/c8-14(9,7-2-3-13-6-7)4-1-5-15(10,11)12/h7H,1-6H2,(H,10,11,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.16623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.382 g/mol  logS: -1.26652  SlogP: -0.3811  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560199  Sterimol/B1: 2.98399  Sterimol/B2: 3.16613  Sterimol/B3: 3.34838
  Sterimol/B4: 4.81012  Sterimol/L: 14.8545 
 
 Surface and Volume Properties
  Accessible surface: 442.263  Positive charged surface: 233.809  Negative charged surface: 208.454  Volume: 211.5
  Hydrophobic surface: 215.957  Hydrophilic surface: 226.306
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03209341
PUBCHEM-ZINC05134385