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ACROSORGANICS-ZINC05225211

 MMsINC code: MMs00018733
Type: Neutral
Formula: C3H8O6S2
SMILES:   S(O)(=O)(=O)CCCS(O)(=O)=O
InChI:   InChI=1/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)

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Potential Energy
Epot(MMFF94)=-12.5958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.223 g/mol  logS: 0.16659  SlogP: -1.9793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820426  Sterimol/B1: 2.6629  Sterimol/B2: 2.99881  Sterimol/B3: 3.04614
  Sterimol/B4: 3.04802  Sterimol/L: 12.1397 
 
 Surface and Volume Properties
  Accessible surface: 347.466  Positive charged surface: 152.738  Negative charged surface: 194.728  Volume: 136
  Hydrophobic surface: 98.9396  Hydrophilic surface: 248.5264
 
 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


MMs00018734
ACROSORGANICS-ZINC05225211