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MAYBRIDGE-ZINC00066184

 MMsINC code: MMs02126723
Type: Neutral
Formula: C10H6F3N3O2
SMILES:   FC(F)(F)c1n(ncc1)-c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C10H6F3N3O2/c11-10(12,13)9-5-6-14-15(9)7-1-3-8(4-2-7)16(17)18/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.171 g/mol  logS: -3.53849  SlogP: 3.1108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414073  Sterimol/B1: 2.43818  Sterimol/B2: 2.55618  Sterimol/B3: 2.87763
  Sterimol/B4: 5.50287  Sterimol/L: 12.7275 
 
 Surface and Volume Properties
  Accessible surface: 402.493  Positive charged surface: 143.618  Negative charged surface: 258.875  Volume: 191.25
  Hydrophobic surface: 211.604  Hydrophilic surface: 190.889
 
 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.