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ASINEX-ZINC03014616

 MMsINC code: MMs00283510
Type: Neutral
Formula: C7H4F6N2O3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)C1=CNC(=O)NC1=O
InChI:   InChI=1/C7H4F6N2O3/c8-6(9,10)5(18,7(11,12)13)2-1-14-4(17)15-3(2)16/h1,18H,(H2,14,15,16,17)

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Potential Energy
Epot(MMFF94)=31.8424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.108 g/mol  logS: -2.38608  SlogP: 1.4052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221524  Sterimol/B1: 2.47875  Sterimol/B2: 3.80494  Sterimol/B3: 3.94292
  Sterimol/B4: 5.07912  Sterimol/L: 10.6431 
 
 Surface and Volume Properties
  Accessible surface: 349.53  Positive charged surface: 112.251  Negative charged surface: 237.279  Volume: 165.875
  Hydrophobic surface: 27.0385  Hydrophilic surface: 322.4915
 
 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.