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IFLAB-ZINC04275680

 MMsINC code: MMs02034352
Type: Neutral
Formula: C13H10FNO3S
SMILES:   s1ccc(C(OC)=O)c1NC(=O)c1ccccc1F
InChI:   InChI=1/C13H10FNO3S/c1-18-13(17)9-6-7-19-12(9)15-11(16)8-4-2-3-5-10(8)14/h2-7H,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=58.5695 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: 0.00461245  Sterimol/B1: 1.969  Sterimol/B2: 2.37306  Sterimol/B3: 2.37704
  Sterimol/B4: 7.94413  Sterimol/L: 14.0377 
 
 Surface and Volume Properties
  Accessible surface: 476.017  Positive charged surface: 258.979  Negative charged surface: 217.038  Volume: 240.125
  Hydrophobic surface: 415.629  Hydrophilic surface: 60.388
 
 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.