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


IBS-ZINC06755494

 MMsINC code: MMs01967839
Type: Neutral
Formula: C24H20FNO4
SMILES:   Fc1ccccc1COc1cc(O)c(cc1)-c1onc(C)c1-c1ccccc1OC
InChI:   InChI=1/C24H20FNO4/c1-15-23(19-8-4-6-10-22(19)28-2)24(30-26-15)18-12-11-17(13-21(18)27)29-14-16-7-3-5-9-20(16)25/h3-13,27H,14H2,1-2H3

Download   format file 
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)=134.25 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.425 g/mol  logS: -6.96787  SlogP: 6.01572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820495  Sterimol/B1: 4.02335  Sterimol/B2: 4.59729  Sterimol/B3: 5.78676
  Sterimol/B4: 6.98267  Sterimol/L: 18.5177 
 
 Surface and Volume Properties
  Accessible surface: 675.104  Positive charged surface: 404.294  Negative charged surface: 270.81  Volume: 378.875
  Hydrophobic surface: 599.607  Hydrophilic surface: 75.497
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.