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NCID-ZINC01614915

 MMsINC code: MMs02264690
Type: Neutral
Formula: C11H5F6NO3
SMILES:   FC(F)(F)C(=CC(=O)c1cc([N+](=O)[O-])ccc1)C(F)(F)F
InChI:   InChI=1/C11H5F6NO3/c12-10(13,14)9(11(15,16)17)5-8(19)6-2-1-3-7(4-6)18(20)21/h1-5H

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Potential Energy
Epot(MMFF94)=54.4048 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: 0.0210399  Sterimol/B1: 2.54903  Sterimol/B2: 2.61947  Sterimol/B3: 2.82908
  Sterimol/B4: 6.18856  Sterimol/L: 13.6849 
 
 Surface and Volume Properties
  Accessible surface: 440.112  Positive charged surface: 96.1742  Negative charged surface: 343.938  Volume: 211.625
  Hydrophobic surface: 155.634  Hydrophilic surface: 284.478
 
 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.