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PUBCHEM-ZINC04831490

 MMsINC code: MMs03177218
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)=87.2944 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: 0.308308  Sterimol/B1: 2.27594  Sterimol/B2: 4.08382  Sterimol/B3: 5.09434
  Sterimol/B4: 8.91648  Sterimol/L: 13.4806 
 
 Surface and Volume Properties
  Accessible surface: 535.247  Positive charged surface: 395.067  Negative charged surface: 140.18  Volume: 282.625
  Hydrophobic surface: 314.59  Hydrophilic surface: 220.657
 
 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.