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ENAMINE-ZINC02629579

 MMsINC code: MMs01261310
Type: Neutral
Formula: C15H14F2N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1c(F)cccc1F)c1cc(ccc1C)C
InChI:   InChI=1/C15H14F2N2O2S/c1-10-6-7-11(2)15(8-10)22(20,21)19-18-9-12-13(16)4-3-5-14(12)17/h3-9,19H,1-2H3/b18-9+

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Potential Energy
Epot(MMFF94)=83.9752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.351 g/mol  logS: -4.73699  SlogP: 2.89404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133656  Sterimol/B1: 2.11459  Sterimol/B2: 4.31154  Sterimol/B3: 4.51783
  Sterimol/B4: 7.69868  Sterimol/L: 13.4917 
 
 Surface and Volume Properties
  Accessible surface: 529.918  Positive charged surface: 279.285  Negative charged surface: 250.632  Volume: 276.875
  Hydrophobic surface: 431.94  Hydrophilic surface: 97.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.