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PUBCHEM-ZINC06184887

 MMsINC code: MMs03585876
Type: Neutral
Formula: C4H10O5S2
SMILES:   S(O)(=O)(=O)CC(O)C(O)CS
InChI:   InChI=1/C4H10O5S2/c5-3(1-10)4(6)2-11(7,8)9/h3-6,10H,1-2H2,(H,7,8,9)/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=17.5061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.251 g/mol  logS: -0.19447  SlogP: -2.0399  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121528  Sterimol/B1: 3.00703  Sterimol/B2: 3.1862  Sterimol/B3: 3.32676
  Sterimol/B4: 3.62066  Sterimol/L: 12.3412 
 
 Surface and Volume Properties
  Accessible surface: 357.044  Positive charged surface: 184.252  Negative charged surface: 172.793  Volume: 150.625
  Hydrophobic surface: 122.171  Hydrophilic surface: 234.873
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03585877
PUBCHEM-ZINC06184887