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


CHEMBRIDGE-ZINC02903610

 MMsINC code: MMs00739799
Type: Neutral
Formula: C16H21NO2
SMILES:   O(CCCCNCCO)c1cc2c(cc1)cccc2
InChI:   InChI=1/C16H21NO2/c18-11-10-17-9-3-4-12-19-16-8-7-14-5-1-2-6-15(14)13-16/h1-2,5-8,13,17-18H,3-4,9-12H2

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)=54.8659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.349 g/mol  logS: -3.28108  SlogP: 2.5807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119533  Sterimol/B1: 2.47433  Sterimol/B2: 2.84715  Sterimol/B3: 3.57173
  Sterimol/B4: 4.54614  Sterimol/L: 19.5101 
 
 Surface and Volume Properties
  Accessible surface: 561.986  Positive charged surface: 389.279  Negative charged surface: 161.636  Volume: 273.375
  Hydrophobic surface: 485.242  Hydrophilic surface: 76.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00739800
CHEMBRIDGE-ZINC02903610