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PUBCHEM-ZINC04557114

 MMsINC code: MMs03133770
Type: Neutral
Formula: C15H22O9S
SMILES:   S(C)C1OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C15H22O9S/c1-7(16)20-6-11-12(21-8(2)17)13(22-9(3)18)14(23-10(4)19)15(24-11)25-5/h11-15H,6H2,1-5H3/t11-,12-,13-,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=77.5418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.398 g/mol  logS: -2.41675  SlogP: 0.4325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.373492  Sterimol/B1: 4.32751  Sterimol/B2: 4.91082  Sterimol/B3: 6.04256
  Sterimol/B4: 6.64532  Sterimol/L: 13.8219 
 
 Surface and Volume Properties
  Accessible surface: 617.706  Positive charged surface: 366.225  Negative charged surface: 251.481  Volume: 329.875
  Hydrophobic surface: 456.602  Hydrophilic surface: 161.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.