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NCID-ZINC05372159

 MMsINC code: MMs02456324
Type: Neutral
Formula: C13H20O10S
SMILES:   S(OC1C(OC(=O)C)C(OC(=O)C)C(OC1C)OC(=O)C)(=O)(=O)C
InChI:   InChI=1/C13H20O10S/c1-6-10(23-24(5,17)18)11(20-7(2)14)12(21-8(3)15)13(19-6)22-9(4)16/h6,10-13H,1-5H3/t6-,10+,11-,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=69.3649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.359 g/mol  logS: -1.70228  SlogP: -0.4975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300216  Sterimol/B1: 2.67424  Sterimol/B2: 2.75803  Sterimol/B3: 6.36287
  Sterimol/B4: 8.51284  Sterimol/L: 13.8249 
 
 Surface and Volume Properties
  Accessible surface: 583.842  Positive charged surface: 321.628  Negative charged surface: 262.214  Volume: 301.75
  Hydrophobic surface: 384.754  Hydrophilic surface: 199.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.