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PUBCHEM-ZINC05113158

 MMsINC code: MMs03201507
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-/m1/s1

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Potential Energy
Epot(MMFF94)=7.43891 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: 0.0345737  Sterimol/B1: 2.64628  Sterimol/B2: 3.06157  Sterimol/B3: 3.19934
  Sterimol/B4: 3.52436  Sterimol/L: 17.0546 
 
 Surface and Volume Properties
  Accessible surface: 464.663  Positive charged surface: 321.61  Negative charged surface: 143.053  Volume: 211.125
  Hydrophobic surface: 230.197  Hydrophilic surface: 234.466
 
 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


MMs03201508
PUBCHEM-ZINC05113158