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


CHEMBRIDGE-ZINC03003160

 MMsINC code: MMs00751060
Type: Neutral
Formula: C15H25NO3
SMILES:   O(CCCNCCCOC)c1cc(OCC)ccc1
InChI:   InChI=1/C15H25NO3/c1-3-18-14-7-4-8-15(13-14)19-12-6-10-16-9-5-11-17-2/h4,7-8,13,16H,3,5-6,9-12H2,1-2H3

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)=39.721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.12597  SlogP: 2.4803  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00991801  Sterimol/B1: 2.22656  Sterimol/B2: 2.40378  Sterimol/B3: 2.41452
  Sterimol/B4: 5.66962  Sterimol/L: 22.8564 
 
 Surface and Volume Properties
  Accessible surface: 604.39  Positive charged surface: 479.093  Negative charged surface: 125.297  Volume: 287.5
  Hydrophobic surface: 538.032  Hydrophilic surface: 66.358
 
 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


MMs00751061
CHEMBRIDGE-ZINC03003160