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NCID-ZINC05395386

 MMsINC code: MMs02458630
Type: Neutral
Formula: C12H22O10S
SMILES:   SC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI:   InChI=1/C12H22O10S/c13-1-3-5(15)6(16)8(18)11(20-3)22-10-4(2-14)21-12(23)9(19)7(10)17/h3-19,23H,1-2H2/t3-,4-,5+,6-,7-,8-,9+,10+,11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=155.397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.364 g/mol  logS: 0.35172  SlogP: -4.4597  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.260321  Sterimol/B1: 2.84439  Sterimol/B2: 3.06629  Sterimol/B3: 5.4013
  Sterimol/B4: 6.39536  Sterimol/L: 11.9886 
 
 Surface and Volume Properties
  Accessible surface: 508.29  Positive charged surface: 394.06  Negative charged surface: 114.23  Volume: 290.25
  Hydrophobic surface: 223.048  Hydrophilic surface: 285.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 10
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.