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


PUBCHEM-ZINC02975035

 MMsINC code: MMs02970877
Type: Neutral
Formula: C16H27NO3
SMILES:   O(CCOCCNCCCOC)c1c(cccc1C)C
InChI:   InChI=1/C16H27NO3/c1-14-6-4-7-15(2)16(14)20-13-12-19-11-9-17-8-5-10-18-3/h4,6-7,17H,5,8-13H2,1-3H3

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)=58.2493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.396 g/mol  logS: -2.01019  SlogP: 2.32494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314697  Sterimol/B1: 3.01474  Sterimol/B2: 3.3633  Sterimol/B3: 3.40098
  Sterimol/B4: 7.14102  Sterimol/L: 18.167 
 
 Surface and Volume Properties
  Accessible surface: 607.714  Positive charged surface: 483.266  Negative charged surface: 124.449  Volume: 305.5
  Hydrophobic surface: 582.512  Hydrophilic surface: 25.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs02970878
PUBCHEM-ZINC02975035