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NCID-ZINC04982789

 MMsINC code: MMs02423378
Type: Neutral
Formula: C8H18O5S
SMILES:   S(CC(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C8H18O5S/c1-2-14-4-6(11)8(13)7(12)5(10)3-9/h5-13H,2-4H2,1H3/t5-,6-,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=74.1364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.293 g/mol  logS: 0.10307  SlogP: -1.8246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515104  Sterimol/B1: 3.19913  Sterimol/B2: 3.22884  Sterimol/B3: 3.26678
  Sterimol/B4: 3.62053  Sterimol/L: 16.0345 
 
 Surface and Volume Properties
  Accessible surface: 446.793  Positive charged surface: 317.407  Negative charged surface: 129.386  Volume: 207.375
  Hydrophobic surface: 212.404  Hydrophilic surface: 234.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.