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


PUBCHEM-ZINC02389546

 MMsINC code: MMs02886911
Type: Neutral
Formula: C24H24BrNO
SMILES:   Br\C(=C(\c1ccc(OCCN(C)C)cc1)/c1ccccc1)\c1ccccc1
InChI:   InChI=1/C24H24BrNO/c1-26(2)17-18-27-22-15-13-20(14-16-22)23(19-9-5-3-6-10-19)24(25)21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3/b24-23-

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)=121.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.366 g/mol  logS: -6.517  SlogP: 5.75579  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606427  Sterimol/B1: 3.68349  Sterimol/B2: 3.72145  Sterimol/B3: 4.39468
  Sterimol/B4: 6.92128  Sterimol/L: 19.3558 
 
 Surface and Volume Properties
  Accessible surface: 679.365  Positive charged surface: 442.269  Negative charged surface: 237.095  Volume: 394.75
  Hydrophobic surface: 672.708  Hydrophilic surface: 6.657
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02886912
PUBCHEM-ZINC02389546