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NCID-ZINC05329710

 MMsINC code: MMs02451927
Type: Neutral
Formula: C6H12O5S
SMILES:   S1C(CO)C(O)C(O)C(O)C1O
InChI:   InChI=1/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=75.0998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.223 g/mol  logS: 0.40071  SlogP: -2.5048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270732  Sterimol/B1: 2.95199  Sterimol/B2: 3.70478  Sterimol/B3: 3.89368
  Sterimol/B4: 4.74716  Sterimol/L: 9.27335 
 
 Surface and Volume Properties
  Accessible surface: 349.79  Positive charged surface: 266.79  Negative charged surface: 83  Volume: 159.5
  Hydrophobic surface: 122.941  Hydrophilic surface: 226.849
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.