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ASINEX-ZINC01799247

 MMsINC code: MMs00257798
Type: Neutral
Formula: C10H4F7NS2
SMILES:   s1c2c(nc1SC(F)(F)C(F)(F)C(F)(F)F)cccc2
InChI:   InChI=1/C10H4F7NS2/c11-8(12,9(13,14)15)10(16,17)20-7-18-5-3-1-2-4-6(5)19-7/h1-4H

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Potential Energy
Epot(MMFF94)=43.0103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.267 g/mol  logS: -6.23876  SlogP: 6.4385  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229382  Sterimol/B1: 2.63766  Sterimol/B2: 2.6399  Sterimol/B3: 3.46319
  Sterimol/B4: 4.38266  Sterimol/L: 14.9757 
 
 Surface and Volume Properties
  Accessible surface: 448.261  Positive charged surface: 114.846  Negative charged surface: 333.415  Volume: 218.375
  Hydrophobic surface: 196.066  Hydrophilic surface: 252.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.