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PUBCHEM-ZINC02159858

 MMsINC code: MMs02877731
Type: Neutral
Formula: C11H22O3
SMILES:   O(C(=O)C(O)(CCC(C)C)CC)CC
InChI:   InChI=1/C11H22O3/c1-5-11(13,8-7-9(3)4)10(12)14-6-2/h9,13H,5-8H2,1-4H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=40.7186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.294 g/mol  logS: -2.727  SlogP: 2.1268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713754  Sterimol/B1: 2.53514  Sterimol/B2: 3.21456  Sterimol/B3: 3.38226
  Sterimol/B4: 6.20552  Sterimol/L: 14.4664 
 
 Surface and Volume Properties
  Accessible surface: 452.651  Positive charged surface: 331.96  Negative charged surface: 120.691  Volume: 220.75
  Hydrophobic surface: 314.085  Hydrophilic surface: 138.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.