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PUBCHEM-ZINC04831489

 MMsINC code: MMs03177217
Type: Neutral
Formula: C11H24O5S2
SMILES:   S(C(SCC)C(OC)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C11H24O5S2/c1-4-17-11(18-5-2)10(16-3)9(15)8(14)7(13)6-12/h7-15H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=100.583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.44 g/mol  logS: -1.44193  SlogP: -0.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118218  Sterimol/B1: 1.99734  Sterimol/B2: 3.82358  Sterimol/B3: 3.91704
  Sterimol/B4: 8.46852  Sterimol/L: 15.8951 
 
 Surface and Volume Properties
  Accessible surface: 535.185  Positive charged surface: 396.822  Negative charged surface: 138.363  Volume: 280.875
  Hydrophobic surface: 310.632  Hydrophilic surface: 224.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.