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ALFAAESAR-ZINC00162963

 MMsINC code: MMs00020489
Type: Neutral
Formula: C8H6F6N2
SMILES:   FC(F)(F)c1cc(cc(NN)c1)C(F)(F)F
InChI:   InChI=1/C8H6F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3,16H,15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.138 g/mol  logS: -3.19879  SlogP: 3.6328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054269  Sterimol/B1: 2.77048  Sterimol/B2: 2.7841  Sterimol/B3: 4.23029
  Sterimol/B4: 4.88454  Sterimol/L: 10.653 
 
 Surface and Volume Properties
  Accessible surface: 377.433  Positive charged surface: 115.667  Negative charged surface: 261.767  Volume: 168.75
  Hydrophobic surface: 78.6398  Hydrophilic surface: 298.7932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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
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Ions/Tautomers related molecules: no related molecules available.