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


CHEMDIV-ZINC00269790

 MMsINC code: MMs00848739
Type: Neutral
Formula: C11H11NO2
SMILES:   OC(=O)Cc1c2c(n(c1)C)cccc2
InChI:   InChI=1/C11H11NO2/c1-12-7-8(6-11(13)14)9-4-2-3-5-10(9)12/h2-5,7H,6H2,1H3,(H,13,14)

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)=28.9127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.214 g/mol  logS: -1.59966  SlogP: 2.16457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841723  Sterimol/B1: 2.36717  Sterimol/B2: 3.03066  Sterimol/B3: 3.17791
  Sterimol/B4: 7.7476  Sterimol/L: 11.1168 
 
 Surface and Volume Properties
  Accessible surface: 391.098  Positive charged surface: 250.672  Negative charged surface: 137.061  Volume: 186
  Hydrophobic surface: 285.829  Hydrophilic surface: 105.269
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00848740
CHEMDIV-ZINC00269790