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


CHEMBRIDGE-ZINC00314797

 MMsINC code: MMs00607249
Type: Neutral
Formula: C18H18FNO4
SMILES:   Fc1ccccc1N\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C18H18FNO4/c1-22-16-10-12(11-17(23-2)18(16)24-3)15(21)8-9-20-14-7-5-4-6-13(14)19/h4-11,20H,1-3H3/b9-8+

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)=126.476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.343 g/mol  logS: -3.99928  SlogP: 3.66  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0119399  Sterimol/B1: 2.12387  Sterimol/B2: 2.47254  Sterimol/B3: 3.12687
  Sterimol/B4: 9.36954  Sterimol/L: 18.3886 
 
 Surface and Volume Properties
  Accessible surface: 606.369  Positive charged surface: 407.822  Negative charged surface: 198.547  Volume: 306.75
  Hydrophobic surface: 534.698  Hydrophilic surface: 71.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00607250
CHEMBRIDGE-ZINC00314797