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


ASINEX-ZINC00254639

 MMsINC code: MMs00100331
Type: Neutral
Formula: C11H15NO2
SMILES:   OC(CN1CCc2c1cccc2)CO
InChI:   InChI=1/C11H15NO2/c13-8-10(14)7-12-6-5-9-3-1-2-4-11(9)12/h1-4,10,13-14H,5-8H2/t10-/m0/s1

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)=109.317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.246 g/mol  logS: -1.09108  SlogP: 0.40227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935487  Sterimol/B1: 2.59394  Sterimol/B2: 3.51552  Sterimol/B3: 3.88687
  Sterimol/B4: 5.09615  Sterimol/L: 13.1387 
 
 Surface and Volume Properties
  Accessible surface: 407.24  Positive charged surface: 283.003  Negative charged surface: 124.238  Volume: 194.875
  Hydrophobic surface: 296.229  Hydrophilic surface: 111.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.