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PUBCHEM-ZINC06364727

 MMsINC code: MMs03688799
Type: Neutral
Formula: C10H14O5
SMILES:   O1CC(O)(C)C(=O)C=C1C(OC(C)C)=O
InChI:   InChI=1/C10H14O5/c1-6(2)15-9(12)7-4-8(11)10(3,13)5-14-7/h4,6,13H,5H2,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=46.3963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.217 g/mol  logS: -1.85022  SlogP: 0.1722  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0849756  Sterimol/B1: 2.1  Sterimol/B2: 3.51935  Sterimol/B3: 4.03337
  Sterimol/B4: 4.51724  Sterimol/L: 13.4135 
 
 Surface and Volume Properties
  Accessible surface: 433.55  Positive charged surface: 274.112  Negative charged surface: 159.438  Volume: 196.875
  Hydrophobic surface: 249.423  Hydrophilic surface: 184.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.