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


CHEMBRIDGE-ZINC02822625

 MMsINC code: MMs00719396
Type: Neutral
Formula: C15H25NO3
SMILES:   O(CCC)c1ccc(OCCOCCN(C)C)cc1
InChI:   InChI=1/C15H25NO3/c1-4-10-18-14-5-7-15(8-6-14)19-13-12-17-11-9-16(2)3/h5-8H,4,9-13H2,1-3H3

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)=71.643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.369 g/mol  logS: -2.05515  SlogP: 2.4324  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0636754  Sterimol/B1: 2.34962  Sterimol/B2: 3.65809  Sterimol/B3: 5.37325
  Sterimol/B4: 5.54029  Sterimol/L: 18.7787 
 
 Surface and Volume Properties
  Accessible surface: 594.747  Positive charged surface: 485.848  Negative charged surface: 108.899  Volume: 287.875
  Hydrophobic surface: 554.646  Hydrophilic surface: 40.101
 
 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


MMs00719397
CHEMBRIDGE-ZINC02822625