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PUBCHEM-ZINC03157338

 MMsINC code: MMs03002711
Type: Neutral
Formula: C8H5F7N2OS
SMILES:   s1cc(nc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C
InChI:   InChI=1/C8H5F7N2OS/c1-3-2-19-5(16-3)17-4(18)6(9,10)7(11,12)8(13,14)15/h2H,1H3,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=52.2938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.193 g/mol  logS: -3.8614  SlogP: 4.48262  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0322091  Sterimol/B1: 2.50909  Sterimol/B2: 2.89967  Sterimol/B3: 3.23847
  Sterimol/B4: 4.43041  Sterimol/L: 14.3534 
 
 Surface and Volume Properties
  Accessible surface: 435.693  Positive charged surface: 131.197  Negative charged surface: 304.496  Volume: 196.5
  Hydrophobic surface: 171.483  Hydrophilic surface: 264.21
 
 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.