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


IBS-ZINC06662311

 MMsINC code: MMs01962669
Type: Neutral
Formula: C23H17ClFNO3
SMILES:   Clc1cccc(F)c1COc1cc(O)c(cc1)-c1onc(C)c1-c1ccccc1
InChI:   InChI=1/C23H17ClFNO3/c1-14-22(15-6-3-2-4-7-15)23(29-26-14)17-11-10-16(12-21(17)27)28-13-18-19(24)8-5-9-20(18)25/h2-12,27H,13H2,1H3

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)=124.521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.844 g/mol  logS: -7.65178  SlogP: 6.66052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0572774  Sterimol/B1: 3.81642  Sterimol/B2: 4.78619  Sterimol/B3: 4.81383
  Sterimol/B4: 6.91489  Sterimol/L: 18.6354 
 
 Surface and Volume Properties
  Accessible surface: 656.844  Positive charged surface: 331.552  Negative charged surface: 325.292  Volume: 364.5
  Hydrophobic surface: 578.577  Hydrophilic surface: 78.267
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.