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ENAMINE-ZINC07062854

 MMsINC code: MMs01722091
Type: Neutral
Formula: C17H14FNO4S
SMILES:   S(=O)(=O)(\C(=C\c1cc(OC)cc(OC)c1)\C#N)c1ccc(F)cc1
InChI:   InChI=1/C17H14FNO4S/c1-22-14-7-12(8-15(10-14)23-2)9-17(11-19)24(20,21)16-5-3-13(18)4-6-16/h3-10H,1-2H3/b17-9+

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Potential Energy
Epot(MMFF94)=88.3858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.366 g/mol  logS: -4.63795  SlogP: 3.18128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747995  Sterimol/B1: 2.57011  Sterimol/B2: 4.29529  Sterimol/B3: 4.33955
  Sterimol/B4: 7.67744  Sterimol/L: 16.0496 
 
 Surface and Volume Properties
  Accessible surface: 566.596  Positive charged surface: 317.433  Negative charged surface: 249.163  Volume: 301.375
  Hydrophobic surface: 444.23  Hydrophilic surface: 122.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.