logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05185093

 MMsINC code: MMs03221418
Type: Neutral
Formula: C15H26O4
SMILES:   O1CCC(CCCCCCCCCCC(O)=O)C1=O
InChI:   InChI=1/C15H26O4/c16-14(17)10-8-6-4-2-1-3-5-7-9-13-11-12-19-15(13)18/h13H,1-12H2,(H,16,17)/t13-/m1/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=5.9117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -3.99364  SlogP: 3.5351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0203281  Sterimol/B1: 2.39356  Sterimol/B2: 2.64624  Sterimol/B3: 3.3125
  Sterimol/B4: 4.69304  Sterimol/L: 21.3424 
 
 Surface and Volume Properties
  Accessible surface: 578.245  Positive charged surface: 444.537  Negative charged surface: 133.708  Volume: 284.5
  Hydrophobic surface: 418.228  Hydrophilic surface: 160.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03221419
PUBCHEM-ZINC05185093