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


ACROSORGANICS-ZINC04202510

 MMsINC code: MMs00016685
Type: Neutral
Formula: C14H30O2
SMILES:   OCCCCCCCCCCCCCCO
InChI:   InChI=1/C14H30O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h15-16H,1-14H2

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)=3.82475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.392 g/mol  logS: -4.1143  SlogP: 3.6522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153749  Sterimol/B1: 2.20862  Sterimol/B2: 2.37504  Sterimol/B3: 2.37595
  Sterimol/B4: 3.07646  Sterimol/L: 22.8517 
 
 Surface and Volume Properties
  Accessible surface: 577.222  Positive charged surface: 486.972  Negative charged surface: 90.2497  Volume: 278.25
  Hydrophobic surface: 467.907  Hydrophilic surface: 109.315
 
 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.