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


PUBCHEM-ZINC05509134

 MMsINC code: MMs03291187
Type: Neutral
Formula: C19H23NO3
SMILES:   O(C)c1cc(ccc1OC)C(=O)CC(N(C)C)c1ccccc1
InChI:   InChI=1/C19H23NO3/c1-20(2)16(14-8-6-5-7-9-14)13-17(21)15-10-11-18(22-3)19(12-15)23-4/h5-12,16H,13H2,1-4H3/t16-/m1/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)=123.361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.397 g/mol  logS: -3.33826  SlogP: 3.675  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725897  Sterimol/B1: 2.35702  Sterimol/B2: 4.06865  Sterimol/B3: 5.46757
  Sterimol/B4: 5.7901  Sterimol/L: 15.998 
 
 Surface and Volume Properties
  Accessible surface: 585.287  Positive charged surface: 446.054  Negative charged surface: 139.233  Volume: 320.875
  Hydrophobic surface: 542.837  Hydrophilic surface: 42.45
 
 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


MMs03291188
PUBCHEM-ZINC05509134