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PUBCHEM-ZINC05973639

 MMsINC code: MMs03469246
Type: Neutral
Formula: C13H24O4
SMILES:   O(C(=O)CCCCCCCC(O)=O)CCCC
InChI:   InChI=1/C13H24O4/c1-2-3-11-17-13(16)10-8-6-4-5-7-9-12(14)15/h2-11H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=0.0417894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -2.75179  SlogP: 3.145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0143208  Sterimol/B1: 2.37489  Sterimol/B2: 2.37584  Sterimol/B3: 2.47591
  Sterimol/B4: 3.64287  Sterimol/L: 21.7322 
 
 Surface and Volume Properties
  Accessible surface: 554.627  Positive charged surface: 416.23  Negative charged surface: 138.396  Volume: 260.125
  Hydrophobic surface: 394.943  Hydrophilic surface: 159.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03469247
PUBCHEM-ZINC05973639