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


PUBCHEM-ZINC05113061

 MMsINC code: MMs03201447
Type: Neutral
Formula: C16H26O8
SMILES:   OC(=O)C(CCCCCCCCCCC(C(O)=O)C(O)=O)C(O)=O
InChI:   InChI=1/C16H26O8/c17-13(18)11(14(19)20)9-7-5-3-1-2-4-6-8-10-12(15(21)22)16(23)24/h11-12H,1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

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)=-3.17745 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.376 g/mol  logS: -3.61216  SlogP: 2.4582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261841  Sterimol/B1: 2.37494  Sterimol/B2: 3.25189  Sterimol/B3: 3.86652
  Sterimol/B4: 4.18973  Sterimol/L: 22.7022 
 
 Surface and Volume Properties
  Accessible surface: 657.91  Positive charged surface: 459.519  Negative charged surface: 198.39  Volume: 325.125
  Hydrophobic surface: 306.987  Hydrophilic surface: 350.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03201448
PUBCHEM-ZINC05113061