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


PUBCHEM-ZINC04616668

 MMsINC code: MMs03142129
Type: Neutral
Formula: C18H23NO
SMILES:   O(Cc1ccccc1)c1cc(ccc1)CN(CC)CC
InChI:   InChI=1/C18H23NO/c1-3-19(4-2)14-17-11-8-12-18(13-17)20-15-16-9-6-5-7-10-16/h5-13H,3-4,14-15H2,1-2H3

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)=65.7867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.388 g/mol  logS: -3.72903  SlogP: 4.6402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645374  Sterimol/B1: 2.43687  Sterimol/B2: 2.44361  Sterimol/B3: 4.61435
  Sterimol/B4: 7.50968  Sterimol/L: 17.2678 
 
 Surface and Volume Properties
  Accessible surface: 560.149  Positive charged surface: 367.638  Negative charged surface: 192.511  Volume: 296
  Hydrophobic surface: 500.562  Hydrophilic surface: 59.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03142130
PUBCHEM-ZINC04616668