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NCID-ZINC04416635

 MMsINC code: MMs02386402
Type: Neutral
Formula: C7H3F5N2O2
SMILES:   Fc1c(C(F)(F)F)c([N+](=O)[O-])c(F)cc1N
InChI:   InChI=1/C7H3F5N2O2/c8-2-1-3(13)5(9)4(7(10,11)12)6(2)14(15)16/h1H,13H2

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Potential Energy
Epot(MMFF94)=42.3998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.103 g/mol  logS: -3.5425  SlogP: 2.7855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559315  Sterimol/B1: 2.86456  Sterimol/B2: 2.86457  Sterimol/B3: 3.20155
  Sterimol/B4: 5.58655  Sterimol/L: 9.81911 
 
 Surface and Volume Properties
  Accessible surface: 342.925  Positive charged surface: 102.459  Negative charged surface: 240.466  Volume: 152.5
  Hydrophobic surface: 126.945  Hydrophilic surface: 215.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.