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


CHEMBRIDGE-ZINC04868627

 MMsINC code: MMs00806570
Type: Neutral
Formula: C17H27NO4
SMILES:   O1CCN(CC1)CCOCCOc1ccccc1OCCC
InChI:   InChI=1/C17H27NO4/c1-2-10-21-16-5-3-4-6-17(16)22-15-14-20-13-9-18-7-11-19-12-8-18/h3-6H,2,7-15H2,1H3

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)=98.0707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.406 g/mol  logS: -2.34663  SlogP: 2.203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121206  Sterimol/B1: 2.49093  Sterimol/B2: 4.32861  Sterimol/B3: 4.60395
  Sterimol/B4: 9.47565  Sterimol/L: 15.9316 
 
 Surface and Volume Properties
  Accessible surface: 635.242  Positive charged surface: 514.577  Negative charged surface: 120.665  Volume: 321.625
  Hydrophobic surface: 586.58  Hydrophilic surface: 48.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs00806571
CHEMBRIDGE-ZINC04868627