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PUBCHEM-ZINC02028509

 MMsINC code: MMs02858187
Type: Neutral
Formula: C11H20O5
SMILES:   O(C(=O)C(C(O)CCC)C(OCC)=O)CC
InChI:   InChI=1/C11H20O5/c1-4-7-8(12)9(10(13)15-5-2)11(14)16-6-3/h8-9,12H,4-7H2,1-3H3/t8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.6278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.276 g/mol  logS: -1.65944  SlogP: 0.8898  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066971  Sterimol/B1: 2.46068  Sterimol/B2: 2.79476  Sterimol/B3: 3.66028
  Sterimol/B4: 8.08452  Sterimol/L: 14.0539 
 
 Surface and Volume Properties
  Accessible surface: 487.884  Positive charged surface: 356.552  Negative charged surface: 131.332  Volume: 234
  Hydrophobic surface: 334.818  Hydrophilic surface: 153.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.