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


PUBCHEM-ZINC05511805

 MMsINC code: MMs03292417
Type: Neutral
Formula: C24H44O4
SMILES:   O1C(CC2OC2CCCCC)C1CCCCCCCC(OCCCCCC)=O
InChI:   InChI=1/C24H44O4/c1-3-5-7-14-18-26-24(25)17-13-10-8-9-12-16-21-23(28-21)19-22-20(27-22)15-11-6-4-2/h20-23H,3-19H2,1-2H3/t20-,21-,22+,23+/m0/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)=28.1584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.612 g/mol  logS: -6.96561  SlogP: 6.3458  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0085128  Sterimol/B1: 3.14043  Sterimol/B2: 3.17092  Sterimol/B3: 5.85291
  Sterimol/B4: 8.219  Sterimol/L: 26.8777 
 
 Surface and Volume Properties
  Accessible surface: 868.714  Positive charged surface: 660.314  Negative charged surface: 208.401  Volume: 449.375
  Hydrophobic surface: 738.014  Hydrophilic surface: 130.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.