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ASINEX-ZINC01470762

 MMsINC code: MMs00255055
Type: Neutral
Formula: C6H4F3N3O3
SMILES:   FC(F)(F)C(=O)NC1=CNC(=O)NC1=O
InChI:   InChI=1/C6H4F3N3O3/c7-6(8,9)4(14)11-2-1-10-5(15)12-3(2)13/h1H,(H,11,14)(H2,10,12,13,15)

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Potential Energy
Epot(MMFF94)=54.3839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.11 g/mol  logS: -1.73416  SlogP: -0.2344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542724  Sterimol/B1: 2.47457  Sterimol/B2: 2.59791  Sterimol/B3: 2.95836
  Sterimol/B4: 5.096  Sterimol/L: 11.5616 
 
 Surface and Volume Properties
  Accessible surface: 352.138  Positive charged surface: 136.565  Negative charged surface: 215.573  Volume: 146.625
  Hydrophobic surface: 44.8906  Hydrophilic surface: 307.2474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.