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NCID-ZINC05341013

 MMsINC code: MMs02453405
Type: Neutral
Formula: C11H24O6S2
SMILES:   S(C(SCC)C(O)C(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C11H24O6S2/c1-3-18-11(19-4-2)10(17)9(16)8(15)7(14)6(13)5-12/h6-17H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=118.415 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.439 g/mol  logS: -0.89421  SlogP: -1.3845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0765354  Sterimol/B1: 2.05098  Sterimol/B2: 3.43901  Sterimol/B3: 3.62384
  Sterimol/B4: 9.47141  Sterimol/L: 15.9628 
 
 Surface and Volume Properties
  Accessible surface: 553.146  Positive charged surface: 398.433  Negative charged surface: 154.713  Volume: 283.5
  Hydrophobic surface: 289.966  Hydrophilic surface: 263.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.