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


PUBCHEM-ZINC03757102

 MMsINC code: MMs03071660
Type: Neutral
Formula: C16H7Cl3FNO2
SMILES:   Clc1ccc(Cl)cc1-c1nc2c(cc(Cl)cc2F)c(c1)C(O)=O
InChI:   InChI=1/C16H7Cl3FNO2/c17-7-1-2-12(19)11(3-7)14-6-10(16(22)23)9-4-8(18)5-13(20)15(9)21-14/h1-6H,(H,22,23)

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)=88.6755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.594 g/mol  logS: -6.83585  SlogP: 5.6993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000103172  Sterimol/B1: 2.1046  Sterimol/B2: 2.10823  Sterimol/B3: 4.51135
  Sterimol/B4: 6.44649  Sterimol/L: 15.4251 
 
 Surface and Volume Properties
  Accessible surface: 524.705  Positive charged surface: 177.307  Negative charged surface: 336.327  Volume: 286.875
  Hydrophobic surface: 417.912  Hydrophilic surface: 106.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03071661
PUBCHEM-ZINC03757102