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


ALFAAESAR-ZINC05113062

 MMsINC code: MMs00025213
Type: Neutral
Formula: C15H28O4
SMILES:   OC(=O)CCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)

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)=-8.25002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.385 g/mol  logS: -4.38658  SlogP: 4.2269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130381  Sterimol/B1: 2.11444  Sterimol/B2: 2.37499  Sterimol/B3: 2.37592
  Sterimol/B4: 3.81971  Sterimol/L: 24.0225 
 
 Surface and Volume Properties
  Accessible surface: 605.698  Positive charged surface: 456.738  Negative charged surface: 148.96  Volume: 294.625
  Hydrophobic surface: 408.815  Hydrophilic surface: 196.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00025214
ALFAAESAR-ZINC05113062