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


PUBCHEM-ZINC03632466

 MMsINC code: MMs03028197
Type: Neutral
Formula: C20H23NO3
SMILES:   O(C)c1cc2C3N(CCc2cc1OC)Cc1cc(OC)ccc1C3
InChI:   InChI=1/C20H23NO3/c1-22-16-5-4-13-9-18-17-11-20(24-3)19(23-2)10-14(17)6-7-21(18)12-15(13)8-16/h4-5,8,10-11,18H,6-7,9,12H2,1-3H3/t18-/m0/s1

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)=112.657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.408 g/mol  logS: -3.54311  SlogP: 3.72974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344642  Sterimol/B1: 2.76666  Sterimol/B2: 3.50285  Sterimol/B3: 5.57807
  Sterimol/B4: 5.81695  Sterimol/L: 18.5383 
 
 Surface and Volume Properties
  Accessible surface: 583.017  Positive charged surface: 469.019  Negative charged surface: 113.998  Volume: 320.875
  Hydrophobic surface: 548.843  Hydrophilic surface: 34.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03028198
PUBCHEM-ZINC03632466