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


CHEMBRIDGE-ZINC02880490

 MMsINC code: MMs00733527
Type: Neutral
Formula: C20H27NO2
SMILES:   O(c1cc(OCCCCN(CC)CC)ccc1)c1ccccc1
InChI:   InChI=1/C20H27NO2/c1-3-21(4-2)15-8-9-16-22-19-13-10-14-20(17-19)23-18-11-6-5-7-12-18/h5-7,10-14,17H,3-4,8-9,15-16H2,1-2H3

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)=72.2248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.441 g/mol  logS: -4.17382  SlogP: 4.9797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624563  Sterimol/B1: 2.57572  Sterimol/B2: 4.83593  Sterimol/B3: 4.84178
  Sterimol/B4: 6.03484  Sterimol/L: 19.3552 
 
 Surface and Volume Properties
  Accessible surface: 654.853  Positive charged surface: 449.351  Negative charged surface: 205.502  Volume: 336.875
  Hydrophobic surface: 602.156  Hydrophilic surface: 52.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00733528
CHEMBRIDGE-ZINC02880490