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


PUBCHEM-ZINC05885732

 MMsINC code: MMs03428863
Type: Neutral
Formula: C7H11NO
SMILES:   OCCn1cccc1C
InChI:   InChI=1/C7H11NO/c1-7-3-2-4-8(7)5-6-9/h2-4,9H,5-6H2,1H3

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)=13.5409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 125.171 g/mol  logS: 0.16704  SlogP: 1.05522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126985  Sterimol/B1: 2.05193  Sterimol/B2: 2.66472  Sterimol/B3: 2.77411
  Sterimol/B4: 6.14422  Sterimol/L: 9.99915 
 
 Surface and Volume Properties
  Accessible surface: 319.693  Positive charged surface: 212.261  Negative charged surface: 107.432  Volume: 137.25
  Hydrophobic surface: 245.11  Hydrophilic surface: 74.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.