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


PUBCHEM-ZINC06331276

 MMsINC code: MMs03675687
Type: Neutral
Formula: C14H10ClFN2O2
SMILES:   Clc1cc(C(=O)N\N=C\c2cc(F)ccc2)c(O)cc1
InChI:   InChI=1/C14H10ClFN2O2/c15-10-4-5-13(19)12(7-10)14(20)18-17-8-9-2-1-3-11(16)6-9/h1-8,19H,(H,18,20)/b17-8+

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)=78.1163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.697 g/mol  logS: -4.20547  SlogP: 2.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00119126  Sterimol/B1: 2.10251  Sterimol/B2: 2.23224  Sterimol/B3: 4.31132
  Sterimol/B4: 5.21752  Sterimol/L: 16.4511 
 
 Surface and Volume Properties
  Accessible surface: 509.57  Positive charged surface: 235.481  Negative charged surface: 274.089  Volume: 251.25
  Hydrophobic surface: 398.719  Hydrophilic surface: 110.851
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.