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


ACROSORGANICS-ZINC04521552

 MMsINC code: MMs00018327
Type: Neutral
Formula: C16H34O2
SMILES:   OCCCCCCCCCCCCCCCCO
InChI:   InChI=1/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2

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)=3.79536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.446 g/mol  logS: -5.14474  SlogP: 4.4324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122311  Sterimol/B1: 2.18897  Sterimol/B2: 2.37505  Sterimol/B3: 2.37599
  Sterimol/B4: 3.08502  Sterimol/L: 25.3498 
 
 Surface and Volume Properties
  Accessible surface: 638.275  Positive charged surface: 542.114  Negative charged surface: 96.1608  Volume: 312.5
  Hydrophobic surface: 530.46  Hydrophilic surface: 107.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.