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ENAMINE-ZINC06623220

 MMsINC code: MMs01686868
Type: Neutral
Formula: C14H13F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(C)c(cc1)C)c1c(F)cccc1F
InChI:   InChI=1/C14H13F2NO2S/c1-9-6-7-11(8-10(9)2)17-20(18,19)14-12(15)4-3-5-13(14)16/h3-8,17H,1-2H3

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Potential Energy
Epot(MMFF94)=31.2449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.325 g/mol  logS: -4.58452  SlogP: 3.38244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236677  Sterimol/B1: 2.92839  Sterimol/B2: 3.94536  Sterimol/B3: 4.94837
  Sterimol/B4: 5.36591  Sterimol/L: 12.5089 
 
 Surface and Volume Properties
  Accessible surface: 475.291  Positive charged surface: 242.882  Negative charged surface: 232.409  Volume: 249.25
  Hydrophobic surface: 397.383  Hydrophilic surface: 77.908
 
 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.