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ENAMINE-ZINC01752601

 MMsINC code: MMs01243948
Type: Neutral
Formula: C13H12FN3O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
InChI:   InChI=1/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)

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Potential Energy
Epot(MMFF94)=31.1706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.321 g/mol  logS: -3.77364  SlogP: 2.1171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448151  Sterimol/B1: 2.4459  Sterimol/B2: 3.55594  Sterimol/B3: 3.76636
  Sterimol/B4: 4.57913  Sterimol/L: 16.8023 
 
 Surface and Volume Properties
  Accessible surface: 508.277  Positive charged surface: 263.236  Negative charged surface: 245.041  Volume: 254.625
  Hydrophobic surface: 317.609  Hydrophilic surface: 190.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs01243949
ENAMINE-ZINC01752601