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DSC-ZINC02539886

 MMsINC code: MMs01221717
Type: Neutral
Formula: C11H20O5
SMILES:   O(C(C)(C)C)C(=O)CC(O)CC(OCC)=O
InChI:   InChI=1/C11H20O5/c1-5-15-9(13)6-8(12)7-10(14)16-11(2,3)4/h8,12H,5-7H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=36.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.276 g/mol  logS: -1.27702  SlogP: 1.0323  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0525726  Sterimol/B1: 3.00619  Sterimol/B2: 3.16675  Sterimol/B3: 3.50683
  Sterimol/B4: 3.73675  Sterimol/L: 16.897 
 
 Surface and Volume Properties
  Accessible surface: 491.059  Positive charged surface: 350.581  Negative charged surface: 140.477  Volume: 231.875
  Hydrophobic surface: 326.408  Hydrophilic surface: 164.651
 
 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.