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CHEMSTAR-ZINC02307523

 MMsINC code: MMs01080940
Type: Neutral
Formula: C8H7F6N3OS
SMILES:   s1ccnc1NC(=O)NC(C(F)(F)F)(C(F)(F)F)C
InChI:   InChI=1/C8H7F6N3OS/c1-6(7(9,10)11,8(12,13)14)17-4(18)16-5-15-2-3-19-5/h2-3H,1H3,(H2,15,16,17,18)

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Potential Energy
Epot(MMFF94)=43.5849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.218 g/mol  logS: -3.39275  SlogP: 3.9877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908101  Sterimol/B1: 2.37782  Sterimol/B2: 2.44052  Sterimol/B3: 4.34535
  Sterimol/B4: 5.02068  Sterimol/L: 13.3642 
 
 Surface and Volume Properties
  Accessible surface: 423.299  Positive charged surface: 170.764  Negative charged surface: 252.535  Volume: 203.5
  Hydrophobic surface: 171.06  Hydrophilic surface: 252.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.