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


NCID-ZINC01688009

 MMsINC code: MMs02320628
Type: Neutral
Formula: C11H15NO2
SMILES:   O(C(=O)Cn1cccc1)C1CCCC1
InChI:   InChI=1/C11H15NO2/c13-11(9-12-7-3-4-8-12)14-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2

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)=25.8134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -1.0862  SlogP: 2.2403  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0687134  Sterimol/B1: 2.43645  Sterimol/B2: 2.71466  Sterimol/B3: 3.83331
  Sterimol/B4: 4.51022  Sterimol/L: 13.355 
 
 Surface and Volume Properties
  Accessible surface: 432.011  Positive charged surface: 295.152  Negative charged surface: 136.859  Volume: 198.125
  Hydrophobic surface: 372.768  Hydrophilic surface: 59.243
 
 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.