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APOLLO-ZINC00155385

 MMsINC code: MMs00044529
Type: Neutral
Formula: C8H5F4NO3
SMILES:   FC(F)(Oc1ccc([N+](=O)[O-])cc1)C(F)F
InChI:   InChI=1/C8H5F4NO3/c9-7(10)8(11,12)16-6-3-1-5(2-4-6)13(14)15/h1-4,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.5336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.124 g/mol  logS: -3.5129  SlogP: 3.6713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027364  Sterimol/B1: 2.63381  Sterimol/B2: 2.64208  Sterimol/B3: 2.80442
  Sterimol/B4: 4.85516  Sterimol/L: 12.8268 
 
 Surface and Volume Properties
  Accessible surface: 379.992  Positive charged surface: 115.589  Negative charged surface: 264.403  Volume: 165.125
  Hydrophobic surface: 161.192  Hydrophilic surface: 218.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.