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PUBCHEM-ZINC05524227

 MMsINC code: MMs03297064
Type: Neutral
Formula: C11H20O4
SMILES:   OC(=O)C(C(CCCCCC)C)C(O)=O
InChI:   InChI=1/C11H20O4/c1-3-4-5-6-7-8(2)9(10(12)13)11(14)15/h8-9H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=15.1567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -3.27245  SlogP: 2.3783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.044989  Sterimol/B1: 2.57087  Sterimol/B2: 3.21193  Sterimol/B3: 3.8862
  Sterimol/B4: 4.69912  Sterimol/L: 15.5953 
 
 Surface and Volume Properties
  Accessible surface: 457.678  Positive charged surface: 324.446  Negative charged surface: 133.233  Volume: 219.625
  Hydrophobic surface: 254.242  Hydrophilic surface: 203.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs03297065
PUBCHEM-ZINC05524227