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ENAMINE-ZINC04948933

 MMsINC code: MMs01569226
Type: Neutral
Formula: C13H11FN2O2S
SMILES:   S(=O)(=O)(\N=C(/N)\c1ccccc1F)c1ccccc1
InChI:   InChI=1/C13H11FN2O2S/c14-12-9-5-4-8-11(12)13(15)16-19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,15,16)

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Potential Energy
Epot(MMFF94)=50.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.307 g/mol  logS: -4.0737  SlogP: 1.9199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724128  Sterimol/B1: 3.59026  Sterimol/B2: 3.61716  Sterimol/B3: 3.6186
  Sterimol/B4: 5.40172  Sterimol/L: 14.6209 
 
 Surface and Volume Properties
  Accessible surface: 474.56  Positive charged surface: 229.673  Negative charged surface: 244.886  Volume: 236.875
  Hydrophobic surface: 373.022  Hydrophilic surface: 101.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.