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


PUBCHEM-ZINC03000550

 MMsINC code: MMs02978040
Type: Neutral
Formula: C17H27NO2
SMILES:   O(CCCCNCCOC)c1c(cccc1C)CC=C
InChI:   InChI=1/C17H27NO2/c1-4-8-16-10-7-9-15(2)17(16)20-13-6-5-11-18-12-14-19-3/h4,7,9-10,18H,1,5-6,8,11-14H2,2-3H3

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)=58.3857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.408 g/mol  logS: -3.06701  SlogP: 3.11849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500452  Sterimol/B1: 2.47656  Sterimol/B2: 2.5215  Sterimol/B3: 4.58072
  Sterimol/B4: 8.68242  Sterimol/L: 18.2303 
 
 Surface and Volume Properties
  Accessible surface: 614.784  Positive charged surface: 470.13  Negative charged surface: 144.654  Volume: 312.375
  Hydrophobic surface: 538.981  Hydrophilic surface: 75.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02978041
PUBCHEM-ZINC03000550