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IFLAB-ZINC04176822

 MMsINC code: MMs02026332
Type: Neutral
Formula: C17H11F2NO3S
SMILES:   s1c2c(cccc2)c(NC(=O)c2c(F)cccc2F)c1C(OC)=O
InChI:   InChI=1/C17H11F2NO3S/c1-23-17(22)15-14(9-5-2-3-8-12(9)24-15)20-16(21)13-10(18)6-4-7-11(13)19/h2-8H,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=80.4513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.341 g/mol  logS: -5.97991  SlogP: 4.2184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0336342  Sterimol/B1: 2.28559  Sterimol/B2: 2.39618  Sterimol/B3: 3.59239
  Sterimol/B4: 10.8675  Sterimol/L: 14.5426 
 
 Surface and Volume Properties
  Accessible surface: 539.799  Positive charged surface: 282.513  Negative charged surface: 253.406  Volume: 289.125
  Hydrophobic surface: 474.833  Hydrophilic surface: 64.966
 
 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.