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


ASINEX-ZINC04128448

 MMsINC code: MMs00306614
Type: Neutral
Formula: C15H23NO
SMILES:   OC1(CC(N(CC1C)C)C)Cc1ccccc1
InChI:   InChI=1/C15H23NO/c1-12-11-16(3)13(2)9-15(12,17)10-14-7-5-4-6-8-14/h4-8,12-13,17H,9-11H2,1-3H3/t12-,13-,15-/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)=73.6334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -2.19662  SlogP: 2.32027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168851  Sterimol/B1: 2.16582  Sterimol/B2: 2.40844  Sterimol/B3: 5.01275
  Sterimol/B4: 6.38632  Sterimol/L: 13.1793 
 
 Surface and Volume Properties
  Accessible surface: 444.286  Positive charged surface: 324.347  Negative charged surface: 119.939  Volume: 253.625
  Hydrophobic surface: 395.575  Hydrophilic surface: 48.711
 
 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


MMs00306615
ASINEX-ZINC04128448