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IFLAB-ZINC04275701

 MMsINC code: MMs02034372
Type: Neutral
Formula: C14H12FNO3S
SMILES:   s1ccc(C(OCC)=O)c1NC(=O)c1cc(F)ccc1
InChI:   InChI=1/C14H12FNO3S/c1-2-19-14(18)11-6-7-20-13(11)16-12(17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=52.5821 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: 0.00698932  Sterimol/B1: 2.37819  Sterimol/B2: 2.382  Sterimol/B3: 3.09613
  Sterimol/B4: 7.87036  Sterimol/L: 15.3451 
 
 Surface and Volume Properties
  Accessible surface: 513.382  Positive charged surface: 266.908  Negative charged surface: 246.473  Volume: 258.125
  Hydrophobic surface: 428.238  Hydrophilic surface: 85.144
 
 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.