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NCID-ZINC04692598

 MMsINC code: MMs02394087
Type: Neutral
Formula: C10H22O6S
SMILES:   S(C(OCC)C(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C10H22O6S/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=87.6435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.346 g/mol  logS: -0.24751  SlogP: -1.462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759869  Sterimol/B1: 2.33648  Sterimol/B2: 2.71556  Sterimol/B3: 4.00434
  Sterimol/B4: 7.41403  Sterimol/L: 15.2969 
 
 Surface and Volume Properties
  Accessible surface: 500.808  Positive charged surface: 353.149  Negative charged surface: 147.659  Volume: 250.25
  Hydrophobic surface: 252.735  Hydrophilic surface: 248.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  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.