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CHEMBRIDGE-ZINC04948895

 MMsINC code: MMs00812953
Type: Neutral
Formula: C9H5F5N2O3
SMILES:   FC(F)(C(=O)Nc1cc([N+](=O)[O-])ccc1)C(F)(F)F
InChI:   InChI=1/C9H5F5N2O3/c10-8(11,9(12,13)14)7(17)15-5-2-1-3-6(4-5)16(18)19/h1-4H,(H,15,17)

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Potential Energy
Epot(MMFF94)=83.3652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.14 g/mol  logS: -4.16353  SlogP: 3.5707  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0457975  Sterimol/B1: 2.55529  Sterimol/B2: 3.02194  Sterimol/B3: 3.54881
  Sterimol/B4: 6.12142  Sterimol/L: 13.9245 
 
 Surface and Volume Properties
  Accessible surface: 420.09  Positive charged surface: 106.185  Negative charged surface: 313.905  Volume: 191.25
  Hydrophobic surface: 143.331  Hydrophilic surface: 276.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.