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ACROSORGANICS-ZINC02560319

 MMsINC code: MMs00014314
Type: Neutral
Formula: C8H3F6NO2
SMILES:   FC(F)(F)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
InChI:   InChI=1/C8H3F6NO2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)15(16)17/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.7478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.105 g/mol  logS: -4.28821  SlogP: 4.2554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496445  Sterimol/B1: 2.63759  Sterimol/B2: 2.63885  Sterimol/B3: 2.71187
  Sterimol/B4: 6.24316  Sterimol/L: 9.93243 
 
 Surface and Volume Properties
  Accessible surface: 356.27  Positive charged surface: 59.2276  Negative charged surface: 297.043  Volume: 161.125
  Hydrophobic surface: 96.4148  Hydrophilic surface: 259.8552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.