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


ACROSORGANICS-ZINC04528575

 MMsINC code: MMs00018359
Type: Neutral
Formula: C6H10O
SMILES:   O=C1CCCCC1
InChI:   InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

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)=3.31741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 98.145 g/mol  logS: -0.75333  SlogP: 1.5196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314807  Sterimol/B1: 1.50715  Sterimol/B2: 3.50734  Sterimol/B3: 4.1803
  Sterimol/B4: 4.65535  Sterimol/L: 7.24742 
 
 Surface and Volume Properties
  Accessible surface: 269.501  Positive charged surface: 191.191  Negative charged surface: 78.3098  Volume: 107
  Hydrophobic surface: 225.547  Hydrophilic surface: 43.954
 
 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.