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


PUBCHEM-ZINC02853727

 MMsINC code: MMs02939987
Type: Neutral
Formula: C18H18BrFN2O2
SMILES:   Brc1cc(F)c(NC(=O)c2ccc(cc2)CN2CCOCC2)cc1
InChI:   InChI=1/C18H18BrFN2O2/c19-15-5-6-17(16(20)11-15)21-18(23)14-3-1-13(2-4-14)12-22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)

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)=98.7239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.256 g/mol  logS: -4.90317  SlogP: 3.9391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608252  Sterimol/B1: 2.47538  Sterimol/B2: 3.21899  Sterimol/B3: 4.93689
  Sterimol/B4: 5.72242  Sterimol/L: 19.7602 
 
 Surface and Volume Properties
  Accessible surface: 599.331  Positive charged surface: 342.019  Negative charged surface: 257.311  Volume: 327.625
  Hydrophobic surface: 545.731  Hydrophilic surface: 53.6
 
 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


MMs02939988
PUBCHEM-ZINC02853727