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ENAMINE-ZINC02654639

 MMsINC code: MMs01277920
Type: Neutral
Formula: C8H7F2NO4
SMILES:   FC(F)Oc1ccc(OC)cc1[N+](=O)[O-]
InChI:   InChI=1/C8H7F2NO4/c1-14-5-2-3-7(15-8(9)10)6(4-5)11(12)13/h2-4,8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.8784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.143 g/mol  logS: -2.35974  SlogP: 2.6247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307223  Sterimol/B1: 2.63726  Sterimol/B2: 2.63957  Sterimol/B3: 3.12931
  Sterimol/B4: 5.96222  Sterimol/L: 11.8228 
 
 Surface and Volume Properties
  Accessible surface: 370.917  Positive charged surface: 189.071  Negative charged surface: 181.846  Volume: 166.375
  Hydrophobic surface: 205.278  Hydrophilic surface: 165.639
 
 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.