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


ASINEX-ZINC03881688

 MMsINC code: MMs00291619
Type: Neutral
Formula: C13H24O3
SMILES:   O1CCOCCCCCCCCCCC1=O
InChI:   InChI=1/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2

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)=82.3998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.332 g/mol  logS: -3.35352  SlogP: 3.0707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131444  Sterimol/B1: 2.71588  Sterimol/B2: 2.81999  Sterimol/B3: 3.55584
  Sterimol/B4: 8.35555  Sterimol/L: 11.1386 
 
 Surface and Volume Properties
  Accessible surface: 442.49  Positive charged surface: 361.369  Negative charged surface: 81.1218  Volume: 244.875
  Hydrophobic surface: 402.785  Hydrophilic surface: 39.705
 
 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.