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


PUBCHEM-ZINC06021351

 MMsINC code: MMs03496566
Type: Neutral
Formula: C11H11F2N3O3
SMILES:   FC(F)Oc1ccc(cc1)/C(=N/NC(=O)C(=O)N)/C
InChI:   InChI=1/C11H11F2N3O3/c1-6(15-16-10(18)9(14)17)7-2-4-8(5-3-7)19-11(12)13/h2-5,11H,1H3,(H2,14,17)(H,16,18)/b15-6-

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)=101.084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.223 g/mol  logS: -2.48922  SlogP: 1.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483138  Sterimol/B1: 2.06033  Sterimol/B2: 2.98869  Sterimol/B3: 3.23673
  Sterimol/B4: 7.58403  Sterimol/L: 13.9154 
 
 Surface and Volume Properties
  Accessible surface: 465.1  Positive charged surface: 250.981  Negative charged surface: 214.119  Volume: 224
  Hydrophobic surface: 203.262  Hydrophilic surface: 261.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.