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


CHEMBRIDGE-ZINC02896484

 MMsINC code: MMs00737898
Type: Neutral
Formula: C15H25NO3
SMILES:   O(CCOCCN(CC)CC)c1cc(OC)ccc1
InChI:   InChI=1/C15H25NO3/c1-4-16(5-2)9-10-18-11-12-19-15-8-6-7-14(13-15)17-3/h6-8,13H,4-5,9-12H2,1-3H3

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)=80.2477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.18059  SlogP: 2.4324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727714  Sterimol/B1: 3.31327  Sterimol/B2: 4.24292  Sterimol/B3: 4.43176
  Sterimol/B4: 5.20753  Sterimol/L: 17.2459 
 
 Surface and Volume Properties
  Accessible surface: 571.633  Positive charged surface: 451.349  Negative charged surface: 120.284  Volume: 286.625
  Hydrophobic surface: 510.355  Hydrophilic surface: 61.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00737899
CHEMBRIDGE-ZINC02896484