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


ASINEX-ZINC03155164

 MMsINC code: MMs00287151
Type: Neutral
Formula: C10H7F7N2O
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1nc(ccc1)C
InChI:   InChI=1/C10H7F7N2O/c1-5-3-2-4-6(18-5)19-7(20)8(11,12)9(13,14)10(15,16)17/h2-4H,1H3,(H,18,19,20)

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)=57.8744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.165 g/mol  logS: -3.44315  SlogP: 4.42112  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0334118  Sterimol/B1: 2.0598  Sterimol/B2: 3.06208  Sterimol/B3: 3.08071
  Sterimol/B4: 6.58934  Sterimol/L: 13.4955 
 
 Surface and Volume Properties
  Accessible surface: 446.937  Positive charged surface: 159.071  Negative charged surface: 287.866  Volume: 207.375
  Hydrophobic surface: 200.771  Hydrophilic surface: 246.166
 
 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.