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ENAMINE-ZINC03227267

 MMsINC code: MMs01316941
Type: Neutral
Formula: C7H4F2N2O5
SMILES:   FC(F)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:   InChI=1/C7H4F2N2O5/c8-7(9)16-6-2-1-4(10(12)13)3-5(6)11(14)15/h1-3,7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.114 g/mol  logS: -3.09959  SlogP: 2.5243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245242  Sterimol/B1: 2.51525  Sterimol/B2: 2.63834  Sterimol/B3: 2.63879
  Sterimol/B4: 6.76135  Sterimol/L: 11.5244 
 
 Surface and Volume Properties
  Accessible surface: 364.516  Positive charged surface: 111.323  Negative charged surface: 253.193  Volume: 158.625
  Hydrophobic surface: 122.809  Hydrophilic surface: 241.707
 
 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.