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CHEMSTAR-ZINC03163232

 MMsINC code: MMs01085133
Type: Ionized
Formula: C4H9O5S3-
SMILES:   S(=O)(=O)(CCSS(=O)(=O)[O-])CC
InChI:   InChI=1/C4H10O5S3/c1-2-11(5,6)4-3-10-12(7,8)9/h2-4H2,1H3,(H,7,8,9)/p-1

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Potential Energy
Epot(MMFF94)=-12.3501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.309 g/mol  logS: -1.22479  SlogP: -0.3855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867296  Sterimol/B1: 3.10069  Sterimol/B2: 3.21924  Sterimol/B3: 3.2956
  Sterimol/B4: 4.14086  Sterimol/L: 12.5879 
 
 Surface and Volume Properties
  Accessible surface: 380.034  Positive charged surface: 148.388  Negative charged surface: 231.646  Volume: 166.25
  Hydrophobic surface: 145.305  Hydrophilic surface: 234.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 3  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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Parent related molecule:


MMs01085132
CHEMSTAR-ZINC03163232