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


NCID-ZINC01753594

 MMsINC code: MMs02363397
Type: Neutral
Formula: C14H11ClFNO3
SMILES:   Clc1cc(OC)c(NC(Oc2ccc(F)cc2)=O)cc1
InChI:   InChI=1/C14H11ClFNO3/c1-19-13-8-9(15)2-7-12(13)17-14(18)20-11-5-3-10(16)4-6-11/h2-8H,1H3,(H,17,18)

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)=71.5155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.697 g/mol  logS: -4.47577  SlogP: 4.0986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635417  Sterimol/B1: 2.57347  Sterimol/B2: 3.83183  Sterimol/B3: 3.92573
  Sterimol/B4: 7.15234  Sterimol/L: 15.3304 
 
 Surface and Volume Properties
  Accessible surface: 509.11  Positive charged surface: 270.151  Negative charged surface: 238.959  Volume: 252
  Hydrophobic surface: 453.702  Hydrophilic surface: 55.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.