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


MAYBRIDGE-ZINC00140726

 MMsINC code: MMs02139442
Type: Neutral
Formula: C17H13ClFNO2
SMILES:   Clc1ccccc1-c1noc(C)c1C(O)c1ccc(F)cc1
InChI:   InChI=1/C17H13ClFNO2/c1-10-15(17(21)11-6-8-12(19)9-7-11)16(20-22-10)13-4-2-3-5-14(13)18/h2-9,17,21H,1H3/t17-/m1/s1

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)=88.9698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.747 g/mol  logS: -5.30799  SlogP: 4.61972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174523  Sterimol/B1: 2.48693  Sterimol/B2: 4.30767  Sterimol/B3: 4.56875
  Sterimol/B4: 7.84493  Sterimol/L: 13.1438 
 
 Surface and Volume Properties
  Accessible surface: 498.777  Positive charged surface: 203.835  Negative charged surface: 294.942  Volume: 279.25
  Hydrophobic surface: 448.716  Hydrophilic surface: 50.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.