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ACROSORGANICS-ZINC03861482

 MMsINC code: MMs00015953
Type: Neutral
Formula: C10H22O5S2
SMILES:   S(C(SCC)C(O)C(O)C(O)C(O)CO)CC
InChI:   InChI=1/C10H22O5S2/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-/m1/s1

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Potential Energy
Epot(MMFF94)=98.9507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.413 g/mol  logS: -1.09675  SlogP: -0.7454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996153  Sterimol/B1: 2.3049  Sterimol/B2: 2.50813  Sterimol/B3: 4.25389
  Sterimol/B4: 8.42745  Sterimol/L: 14.4136 
 
 Surface and Volume Properties
  Accessible surface: 515.725  Positive charged surface: 370.863  Negative charged surface: 144.862  Volume: 260.75
  Hydrophobic surface: 265.989  Hydrophilic surface: 249.736
 
 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.