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


CHEMBRIDGE-ZINC04018925

 MMsINC code: MMs00759502
Type: Neutral
Formula: C16H19NO2
SMILES:   O1CCN(CC1)CCOc1c2c(ccc1)cccc2
InChI:   InChI=1/C16H19NO2/c1-2-6-15-14(4-1)5-3-7-16(15)19-13-10-17-8-11-18-12-9-17/h1-7H,8-13H2

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)=87.9231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.333 g/mol  logS: -3.50251  SlogP: 2.5508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103251  Sterimol/B1: 2.86875  Sterimol/B2: 3.88276  Sterimol/B3: 4.19706
  Sterimol/B4: 7.10724  Sterimol/L: 13.8931 
 
 Surface and Volume Properties
  Accessible surface: 506.743  Positive charged surface: 358.166  Negative charged surface: 137.505  Volume: 262.75
  Hydrophobic surface: 491.812  Hydrophilic surface: 14.931
 
 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


MMs00759503
CHEMBRIDGE-ZINC04018925