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


ACROSORGANICS-ZINC03860309

 MMsINC code: MMs00015347
Type: Neutral
Formula: C8H14O
SMILES:   O=C1CCCCCCC1
InChI:   InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2

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)=36.2035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.199 g/mol  logS: -1.78377  SlogP: 2.2998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.378119  Sterimol/B1: 2.51297  Sterimol/B2: 2.90847  Sterimol/B3: 3.56471
  Sterimol/B4: 5.16239  Sterimol/L: 8.16905 
 
 Surface and Volume Properties
  Accessible surface: 300.751  Positive charged surface: 212.462  Negative charged surface: 88.2885  Volume: 138.875
  Hydrophobic surface: 266.206  Hydrophilic surface: 34.545
 
 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.