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NCID-ZINC01623486

 MMsINC code: MMs02270816
Type: Neutral
Formula: C11H5F6NO3
SMILES:   FC(F)(F)C(=CC(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F
InChI:   InChI=1/C11H5F6NO3/c12-10(13,14)9(11(15,16)17)5-8(19)6-3-1-2-4-7(6)18(20)21/h1-5H

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Potential Energy
Epot(MMFF94)=63.4212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.153 g/mol  logS: -5.16141  SlogP: 4.6683  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111054  Sterimol/B1: 2.70043  Sterimol/B2: 3.20817  Sterimol/B3: 4.11293
  Sterimol/B4: 6.10854  Sterimol/L: 12.3358 
 
 Surface and Volume Properties
  Accessible surface: 428.847  Positive charged surface: 112.097  Negative charged surface: 316.751  Volume: 208.875
  Hydrophobic surface: 175.813  Hydrophilic surface: 253.034
 
 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.