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NCID-ZINC04544267

 MMsINC code: MMs02391044
Type: Neutral
Formula: C8H16O5S
SMILES:   S(CC)C1OC(CO)C(O)C(O)C1O
InChI:   InChI=1/C8H16O5S/c1-2-14-8-7(12)6(11)5(10)4(3-9)13-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=80.2002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.277 g/mol  logS: -0.27168  SlogP: -1.4606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14173  Sterimol/B1: 3.30328  Sterimol/B2: 3.84404  Sterimol/B3: 4.23893
  Sterimol/B4: 4.96284  Sterimol/L: 12.3009 
 
 Surface and Volume Properties
  Accessible surface: 407.516  Positive charged surface: 304.636  Negative charged surface: 102.88  Volume: 196
  Hydrophobic surface: 190.122  Hydrophilic surface: 217.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.