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


OAKWOOD-ZINC00373207

 MMsINC code: MMs02542860
Type: Neutral
Formula: C9H8F4N2O3
SMILES:   FC(F)(COc1cc(N)cc([N+](=O)[O-])c1)C(F)F
InChI:   InChI=1/C9H8F4N2O3/c10-8(11)9(12,13)4-18-7-2-5(14)1-6(3-7)15(16)17/h1-3,8H,4,14H2

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)=75.5129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.166 g/mol  logS: -3.17782  SlogP: 3.296  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437028  Sterimol/B1: 3.04557  Sterimol/B2: 3.24639  Sterimol/B3: 4.59045
  Sterimol/B4: 5.21147  Sterimol/L: 12.2623 
 
 Surface and Volume Properties
  Accessible surface: 427.282  Positive charged surface: 166.07  Negative charged surface: 261.211  Volume: 193.5
  Hydrophobic surface: 146.512  Hydrophilic surface: 280.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.