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ENAMINE-ZINC03526563

 MMsINC code: MMs01491851
Type: Neutral
Formula: C13H10F2N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(F)cc1F)c1ccccc1
InChI:   InChI=1/C13H10F2N2O2S/c14-11-7-6-10(13(15)8-11)9-16-17-20(18,19)12-4-2-1-3-5-12/h1-9,17H/b16-9+

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Potential Energy
Epot(MMFF94)=73.2171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.297 g/mol  logS: -4.1026  SlogP: 2.2772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0936618  Sterimol/B1: 2.55954  Sterimol/B2: 2.8446  Sterimol/B3: 5.10752
  Sterimol/B4: 6.60095  Sterimol/L: 13.4881 
 
 Surface and Volume Properties
  Accessible surface: 490.701  Positive charged surface: 236.432  Negative charged surface: 254.269  Volume: 244.5
  Hydrophobic surface: 380.454  Hydrophilic surface: 110.247
 
 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.