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ALFAAESAR-ZINC00081468

 MMsINC code: MMs00019499
Type: Neutral
Formula: C7H4F3NO3
SMILES:   FC(F)(F)Oc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C7H4F3NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.107 g/mol  logS: -3.36444  SlogP: 2.9133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245262  Sterimol/B1: 2.63607  Sterimol/B2: 2.64008  Sterimol/B3: 2.88467
  Sterimol/B4: 4.84339  Sterimol/L: 11.8295 
 
 Surface and Volume Properties
  Accessible surface: 340.895  Positive charged surface: 92.9676  Negative charged surface: 247.928  Volume: 145.5
  Hydrophobic surface: 140.432  Hydrophilic surface: 200.463
 
 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.