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CHEMBLOCK-ZINC00978354

 MMsINC code: MMs00510050
Type: Neutral
Formula: C10H11F6N3OS
SMILES:   s1c(cnc1NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)C
InChI:   InChI=1/C10H11F6N3OS/c1-3-6(20)18-8(9(11,12)13,10(14,15)16)19-7-17-4-5(2)21-7/h4H,3H2,1-2H3,(H,17,19)(H,18,20)

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Potential Energy
Epot(MMFF94)=78.5203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.272 g/mol  logS: -3.56974  SlogP: 4.05032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783662  Sterimol/B1: 2.28148  Sterimol/B2: 3.46861  Sterimol/B3: 3.94056
  Sterimol/B4: 6.61014  Sterimol/L: 14.473 
 
 Surface and Volume Properties
  Accessible surface: 477.042  Positive charged surface: 227.743  Negative charged surface: 249.299  Volume: 239.625
  Hydrophobic surface: 273.321  Hydrophilic surface: 203.721
 
 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.