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


NCID-ZINC04758844

 MMsINC code: MMs02400989
Type: Neutral
Formula: C17H28O8
SMILES:   O(C(=O)C(CCCC(C(OCC)=O)C(OCC)=O)C(OCC)=O)CC
InChI:   InChI=1/C17H28O8/c1-5-22-14(18)12(15(19)23-6-2)10-9-11-13(16(20)24-7-3)17(21)25-8-4/h12-13H,5-11H2,1-4H3

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)=20.8633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.403 g/mol  logS: -2.96378  SlogP: 1.6415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111446  Sterimol/B1: 2.19823  Sterimol/B2: 2.42101  Sterimol/B3: 6.47741
  Sterimol/B4: 7.06696  Sterimol/L: 19.091 
 
 Surface and Volume Properties
  Accessible surface: 690.017  Positive charged surface: 509.624  Negative charged surface: 180.393  Volume: 352.125
  Hydrophobic surface: 487.915  Hydrophilic surface: 202.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.