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


ASINEX-ZINC00294261

 MMsINC code: MMs00111615
Type: Neutral
Formula: C12H19NO2
SMILES:   O(C)c1ccc(cc1)CNC(COC)C
InChI:   InChI=1/C12H19NO2/c1-10(9-14-2)13-8-11-4-6-12(15-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3/t10-/m1/s1

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)=48.6814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.289 g/mol  logS: -1.64561  SlogP: 2.0861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111131  Sterimol/B1: 2.29263  Sterimol/B2: 2.31322  Sterimol/B3: 5.0925
  Sterimol/B4: 5.91036  Sterimol/L: 15.0722 
 
 Surface and Volume Properties
  Accessible surface: 478.135  Positive charged surface: 379.022  Negative charged surface: 99.1136  Volume: 227.375
  Hydrophobic surface: 429.954  Hydrophilic surface: 48.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00111616
ASINEX-ZINC00294261