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PUBCHEM-ZINC05835531

 MMsINC code: MMs03407809
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-/m0/s1

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Potential Energy
Epot(MMFF94)=34.3614 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: 0.0451102  Sterimol/B1: 2.49945  Sterimol/B2: 2.98113  Sterimol/B3: 3.38798
  Sterimol/B4: 5.23178  Sterimol/L: 16.1107 
 
 Surface and Volume Properties
  Accessible surface: 493.367  Positive charged surface: 344.346  Negative charged surface: 149.022  Volume: 222.125
  Hydrophobic surface: 306.557  Hydrophilic surface: 186.81
 
 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.