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


NANOSIN-ZINC00264313

 MMsINC code: MMs02192123
Type: Neutral
Formula: C8H7F3N2O
SMILES:   FC(F)(F)Oc1ccc(cc1)C(N)=N
InChI:   InChI=1/C8H7F3N2O/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)

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)=42.4558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.151 g/mol  logS: -3.02709  SlogP: 2.28917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178351  Sterimol/B1: 2.63615  Sterimol/B2: 2.63998  Sterimol/B3: 2.71573
  Sterimol/B4: 4.89355  Sterimol/L: 11.9629 
 
 Surface and Volume Properties
  Accessible surface: 352.647  Positive charged surface: 144.614  Negative charged surface: 208.033  Volume: 159.375
  Hydrophobic surface: 123.98  Hydrophilic surface: 228.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02192124
NANOSIN-ZINC00264313