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


CHEMBRIDGE-ZINC03000792

 MMsINC code: MMs00749567
Type: Neutral
Formula: C20H27NO2
SMILES:   O(CCNCCOC)c1ccc(cc1)C(C)(C)c1ccccc1
InChI:   InChI=1/C20H27NO2/c1-20(2,17-7-5-4-6-8-17)18-9-11-19(12-10-18)23-16-14-21-13-15-22-3/h4-12,21H,13-16H2,1-3H3

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)=104.661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.441 g/mol  logS: -4.49166  SlogP: 3.6273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653457  Sterimol/B1: 2.45557  Sterimol/B2: 2.54714  Sterimol/B3: 5.14827
  Sterimol/B4: 6.39634  Sterimol/L: 18.506 
 
 Surface and Volume Properties
  Accessible surface: 629.343  Positive charged surface: 471.703  Negative charged surface: 157.64  Volume: 337.125
  Hydrophobic surface: 574.629  Hydrophilic surface: 54.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00749568
CHEMBRIDGE-ZINC03000792