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


ASINEX-ZINC04612888

 MMsINC code: MMs00356189
Type: Neutral
Formula: C13H19NO
SMILES:   OC1CCN(C)C(C1C)c1ccccc1
InChI:   InChI=1/C13H19NO/c1-10-12(15)8-9-14(2)13(10)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3/t10-,12-,13+/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)=55.0352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.301 g/mol  logS: -1.80794  SlogP: 2.1557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219544  Sterimol/B1: 2.41186  Sterimol/B2: 2.63569  Sterimol/B3: 4.96804
  Sterimol/B4: 6.26326  Sterimol/L: 11.9804 
 
 Surface and Volume Properties
  Accessible surface: 412.464  Positive charged surface: 309.698  Negative charged surface: 102.766  Volume: 220.125
  Hydrophobic surface: 352.165  Hydrophilic surface: 60.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00356190
ASINEX-ZINC04612888