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PUBCHEM-ZINC04979000

 MMsINC code: MMs03187454
Type: Neutral
Formula: C10H18O5
SMILES:   O(C(=O)CCCCC(O)=O)CC(CO)C
InChI:   InChI=1/C10H18O5/c1-8(6-11)7-15-10(14)5-3-2-4-9(12)13/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=8.54419 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.249 g/mol  logS: -0.36293  SlogP: 0.803  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0275525  Sterimol/B1: 2.10795  Sterimol/B2: 2.53838  Sterimol/B3: 3.38897
  Sterimol/B4: 4.64219  Sterimol/L: 17.6746 
 
 Surface and Volume Properties
  Accessible surface: 480.127  Positive charged surface: 353.566  Negative charged surface: 126.56  Volume: 213.5
  Hydrophobic surface: 272.182  Hydrophilic surface: 207.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03187455
PUBCHEM-ZINC04979000