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IFLAB-ZINC04275714

 MMsINC code: MMs02034385
Type: Neutral
Formula: C14H12FNO3S
SMILES:   s1ccc(C(OCC)=O)c1NC(=O)c1ccccc1F
InChI:   InChI=1/C14H12FNO3S/c1-2-19-14(18)10-7-8-20-13(10)16-12(17)9-5-3-4-6-11(9)15/h3-8H,2H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=56.4243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.318 g/mol  logS: -4.3238  SlogP: 3.3162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00697705  Sterimol/B1: 2.37788  Sterimol/B2: 2.38098  Sterimol/B3: 2.87566
  Sterimol/B4: 7.85002  Sterimol/L: 15.3603 
 
 Surface and Volume Properties
  Accessible surface: 511.512  Positive charged surface: 273.991  Negative charged surface: 237.522  Volume: 258.25
  Hydrophobic surface: 428.929  Hydrophilic surface: 82.583
 
 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.