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ENAMINE-ZINC03302668

 MMsINC code: MMs01359440
Type: Neutral
Formula: C11H11F3N6O3S2
SMILES:   S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1nnc(n1N)C(F)(F)F
InChI:   InChI=1/C11H11F3N6O3S2/c12-11(13,14)9-18-19-10(20(9)15)24-5-8(21)17-6-1-3-7(4-2-6)25(16,22)23/h1-4H,5,15H2,(H,17,21)(H2,16,22,23)

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Potential Energy
Epot(MMFF94)=45.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.374 g/mol  logS: -4.69786  SlogP: 0.7004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0198449  Sterimol/B1: 2.88819  Sterimol/B2: 3.2969  Sterimol/B3: 3.44999
  Sterimol/B4: 4.68427  Sterimol/L: 19.3962 
 
 Surface and Volume Properties
  Accessible surface: 583.427  Positive charged surface: 251.868  Negative charged surface: 331.559  Volume: 284
  Hydrophobic surface: 171.752  Hydrophilic surface: 411.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs01359441
ENAMINE-ZINC03302668