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PUBCHEM-ZINC03651202

 MMsINC code: MMs03034091
Type: Neutral
Formula: C8H15IO6
SMILES:   ICCOC(C(O)C(O)CO)C(O)C=O
InChI:   InChI=1/C8H15IO6/c9-1-2-15-8(6(13)4-11)7(14)5(12)3-10/h4-8,10,12-14H,1-3H2/t5-,6+,7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=79.3004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.106 g/mol  logS: -0.76384  SlogP: -1.9195  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.184901  Sterimol/B1: 3.07451  Sterimol/B2: 3.71014  Sterimol/B3: 4.90809
  Sterimol/B4: 5.43873  Sterimol/L: 11.6037 
 
 Surface and Volume Properties
  Accessible surface: 434.07  Positive charged surface: 259.936  Negative charged surface: 174.134  Volume: 221.625
  Hydrophobic surface: 241.751  Hydrophilic surface: 192.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.