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PUBCHEM-ZINC06485362

 MMsINC code: MMs03761504
Type: Neutral
Formula: C4H10O4S2
SMILES:   S(CCC(S(O)(=O)=O)O)C
InChI:   InChI=1/C4H10O4S2/c1-9-3-2-4(5)10(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=23.309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.252 g/mol  logS: -0.48293  SlogP: -0.62  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746747  Sterimol/B1: 2.93266  Sterimol/B2: 3.30788  Sterimol/B3: 3.4968
  Sterimol/B4: 3.53287  Sterimol/L: 12.5284 
 
 Surface and Volume Properties
  Accessible surface: 353.435  Positive charged surface: 183.334  Negative charged surface: 170.101  Volume: 147
  Hydrophobic surface: 156.071  Hydrophilic surface: 197.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03761505
PUBCHEM-ZINC06485362