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ASINEX-ZINC03160310

 MMsINC code: MMs00287410
Type: Neutral
Formula: C7H3F7N2OS
SMILES:   s1ccnc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H3F7N2OS/c8-5(9,6(10,11)7(12,13)14)3(17)16-4-15-1-2-18-4/h1-2H,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=47.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.166 g/mol  logS: -3.54801  SlogP: 4.1742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0403223  Sterimol/B1: 2.47714  Sterimol/B2: 3.00665  Sterimol/B3: 3.03568
  Sterimol/B4: 4.6717  Sterimol/L: 13.4592 
 
 Surface and Volume Properties
  Accessible surface: 400.543  Positive charged surface: 110.493  Negative charged surface: 290.049  Volume: 179.375
  Hydrophobic surface: 147.007  Hydrophilic surface: 253.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.