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


PUBCHEM-ZINC05794644

 MMsINC code: MMs03389260
Type: Neutral
Formula: C14H23NO2
SMILES:   O(CCN(CC)CC)c1ccccc1OCC
InChI:   InChI=1/C14H23NO2/c1-4-15(5-2)11-12-17-14-10-8-7-9-13(14)16-6-3/h7-10H,4-6,11-12H2,1-3H3

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)=72.5649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.36516  SlogP: 2.8059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07101  Sterimol/B1: 2.84222  Sterimol/B2: 4.03694  Sterimol/B3: 4.52623
  Sterimol/B4: 6.44052  Sterimol/L: 12.861 
 
 Surface and Volume Properties
  Accessible surface: 521.698  Positive charged surface: 386.419  Negative charged surface: 135.279  Volume: 261.375
  Hydrophobic surface: 449.31  Hydrophilic surface: 72.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs03389261
PUBCHEM-ZINC05794644