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


PUBCHEM-ZINC04989667

 MMsINC code: MMs03187981
Type: Neutral
Formula: C15H23NO
SMILES:   O(CCN1CCCCC1)c1ccc(cc1)CC
InChI:   InChI=1/C15H23NO/c1-2-14-6-8-15(9-7-14)17-13-12-16-10-4-3-5-11-16/h6-9H,2-5,10-13H2,1H3

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)=44.5396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.355 g/mol  logS: -3.07644  SlogP: 3.11367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0773861  Sterimol/B1: 3.33356  Sterimol/B2: 3.71828  Sterimol/B3: 3.87976
  Sterimol/B4: 4.06942  Sterimol/L: 16.1084 
 
 Surface and Volume Properties
  Accessible surface: 512.433  Positive charged surface: 386.903  Negative charged surface: 125.53  Volume: 258.875
  Hydrophobic surface: 484.539  Hydrophilic surface: 27.894
 
 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


MMs03187982
PUBCHEM-ZINC04989667