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PUBCHEM-ZINC03157337

 MMsINC code: MMs03002710
Type: Neutral
Formula: C8H5ClF6N2OS
SMILES:   ClC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1scc(n1)C
InChI:   InChI=1/C8H5ClF6N2OS/c1-3-2-19-5(16-3)17-4(18)6(10,11)7(12,13)8(9,14)15/h2H,1H3,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=51.4731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.648 g/mol  logS: -4.30299  SlogP: 4.75192  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0324442  Sterimol/B1: 2.54708  Sterimol/B2: 2.84931  Sterimol/B3: 3.25713
  Sterimol/B4: 4.40496  Sterimol/L: 15.1821 
 
 Surface and Volume Properties
  Accessible surface: 453.654  Positive charged surface: 128.45  Negative charged surface: 325.204  Volume: 208.25
  Hydrophobic surface: 171.483  Hydrophilic surface: 282.171
 
 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.