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


NCID-ZINC04691800

 MMsINC code: MMs02393441
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C(C(OCC)=O)C1CCCCCC1)CC
InChI:   InChI=1/C14H24O4/c1-3-17-13(15)12(14(16)18-4-2)11-9-7-5-6-8-10-11/h11-12H,3-10H2,1-2H3

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)=42.7277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -4.13427  SlogP: 2.6992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698507  Sterimol/B1: 2.37546  Sterimol/B2: 3.18967  Sterimol/B3: 3.19628
  Sterimol/B4: 7.83825  Sterimol/L: 12.9863 
 
 Surface and Volume Properties
  Accessible surface: 503.209  Positive charged surface: 384.913  Negative charged surface: 118.296  Volume: 263.875
  Hydrophobic surface: 418.831  Hydrophilic surface: 84.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.