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PUBCHEM-ZINC05835488

 MMsINC code: MMs03407781
Type: Neutral
Formula: C10H18O6
SMILES:   O(C(=O)C(O)C(O)C(OCCC)=O)CCC
InChI:   InChI=1/C10H18O6/c1-3-5-15-9(13)7(11)8(12)10(14)16-6-4-2/h7-8,11-12H,3-6H2,1-2H3/t7-,8+

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Potential Energy
Epot(MMFF94)=36.6639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -1.05976  SlogP: -0.3854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256523  Sterimol/B1: 2.86152  Sterimol/B2: 3.13698  Sterimol/B3: 3.74512
  Sterimol/B4: 3.92252  Sterimol/L: 17.1798 
 
 Surface and Volume Properties
  Accessible surface: 487.775  Positive charged surface: 351.9  Negative charged surface: 135.875  Volume: 222.875
  Hydrophobic surface: 301.702  Hydrophilic surface: 186.073
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.