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CHEMBLOCK-ZINC00036295

 MMsINC code: MMs00487412
Type: Neutral
Formula: C14H9F2NS2
SMILES:   s1c2c(nc1SCc1c(F)cccc1F)cccc2
InChI:   InChI=1/C14H9F2NS2/c15-10-4-3-5-11(16)9(10)8-18-14-17-12-6-1-2-7-13(12)19-14/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=34.8547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.361 g/mol  logS: -6.05099  SlogP: 5.1332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0540364  Sterimol/B1: 3.32092  Sterimol/B2: 3.82899  Sterimol/B3: 3.8968
  Sterimol/B4: 4.57065  Sterimol/L: 16.4202 
 
 Surface and Volume Properties
  Accessible surface: 486.865  Positive charged surface: 214.011  Negative charged surface: 272.853  Volume: 248.875
  Hydrophobic surface: 413.897  Hydrophilic surface: 72.968
 
 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.