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PUBCHEM-ZINC05975493

 MMsINC code: MMs03470991
Type: Neutral
Formula: C8H18O4S4
SMILES:   S(SCC(O)C(O)CS)CC(O)C(O)CS
InChI:   InChI=1/C8H18O4S4/c9-5(1-13)7(11)3-15-16-4-8(12)6(10)2-14/h5-14H,1-4H2/t5-,6+,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=70.1211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.492 g/mol  logS: -2.85298  SlogP: -0.329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0514964  Sterimol/B1: 3.34831  Sterimol/B2: 3.71671  Sterimol/B3: 3.73348
  Sterimol/B4: 3.93746  Sterimol/L: 17.3258 
 
 Surface and Volume Properties
  Accessible surface: 511.572  Positive charged surface: 300.419  Negative charged surface: 211.153  Volume: 255.625
  Hydrophobic surface: 234.418  Hydrophilic surface: 277.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.