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PUBCHEM-ZINC05765635

 MMsINC code: MMs03379138
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(=O)C1C(C)(C)C1C(O)C(O)(C)C)C
InChI:   InChI=1/C11H20O4/c1-10(2)6(7(10)9(13)15-5)8(12)11(3,4)14/h6-8,12,14H,1-5H3/t6-,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=65.8431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -1.46191  SlogP: 0.5634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269731  Sterimol/B1: 2.27189  Sterimol/B2: 3.04217  Sterimol/B3: 4.13484
  Sterimol/B4: 7.70829  Sterimol/L: 11.0024 
 
 Surface and Volume Properties
  Accessible surface: 422.645  Positive charged surface: 312.191  Negative charged surface: 110.454  Volume: 222
  Hydrophobic surface: 309.461  Hydrophilic surface: 113.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.