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PUBCHEM-ZINC05113157

 MMsINC code: MMs03201505
Type: Neutral
Formula: C10H18O5
SMILES:   OC(CCCCCCCC(O)=O)C(O)=O
InChI:   InChI=1/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=7.48404 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -1.41257  SlogP: 1.2472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345637  Sterimol/B1: 2.64514  Sterimol/B2: 3.06136  Sterimol/B3: 3.19887
  Sterimol/B4: 3.52398  Sterimol/L: 17.0542 
 
 Surface and Volume Properties
  Accessible surface: 465.949  Positive charged surface: 323.592  Negative charged surface: 142.358  Volume: 210.875
  Hydrophobic surface: 230.105  Hydrophilic surface: 235.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs03201506
PUBCHEM-ZINC05113157