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


CHEMDIV-ZINC00229912

MMsINC code: MMs00844740

Type: Neutral
Formula: C11H15NO2
SMILES:   O(C(C)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C11H15NO2/c1-8(2)14-11-6-4-10(5-7-11)12-9(3)13/h4-8H,1-3H3,(H,12,13)

Download   format file 
Drug Similarity  |  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)=54.6866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -2.29913  SlogP: 2.4322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562903  Sterimol/B1: 2.01034  Sterimol/B2: 2.48227  Sterimol/B3: 4.70589
  Sterimol/B4: 5.08585  Sterimol/L: 13.7583 
 
 Surface and Volume Properties
  Accessible surface: 423.91  Positive charged surface: 272.48  Negative charged surface: 151.43  Volume: 199.125
  Hydrophobic surface: 325.693  Hydrophilic surface: 98.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.