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


APOLLO-ZINC01627057

 MMsINC code: MMs00049625
Type: Neutral
Formula: C11H20O
SMILES:   O=C1CCCCCCCCCC1
InChI:   InChI=1/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2

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)=35.1376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.28 g/mol  logS: -3.32943  SlogP: 3.4701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23544  Sterimol/B1: 2.50069  Sterimol/B2: 2.54041  Sterimol/B3: 3.57664
  Sterimol/B4: 6.43404  Sterimol/L: 9.6689 
 
 Surface and Volume Properties
  Accessible surface: 364.033  Positive charged surface: 266.093  Negative charged surface: 97.9395  Volume: 191.875
  Hydrophobic surface: 329.077  Hydrophilic surface: 34.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.