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IFLAB-ZINC04275673

 MMsINC code: MMs02034346
Type: Neutral
Formula: C13H10FNO3S
SMILES:   s1ccc(C(OC)=O)c1NC(=O)c1cc(F)ccc1
InChI:   InChI=1/C13H10FNO3S/c1-18-13(17)10-5-6-19-12(10)15-11(16)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=54.6437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.291 g/mol  logS: -3.99659  SlogP: 2.9261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00461573  Sterimol/B1: 2.01639  Sterimol/B2: 2.37304  Sterimol/B3: 2.37734
  Sterimol/B4: 7.94832  Sterimol/L: 14.0051 
 
 Surface and Volume Properties
  Accessible surface: 478.736  Positive charged surface: 253.64  Negative charged surface: 225.095  Volume: 238.875
  Hydrophobic surface: 414.927  Hydrophilic surface: 63.809
 
 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.