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CHEMDIV-ZINC06808625

 MMsINC code: MMs01036155
Type: Neutral
Formula: C16H14FN3O3S2
SMILES:   s1c2cc(S(=O)(=O)NCC(=O)Nc3ccc(F)cc3)ccc2nc1C
InChI:   InChI=1/C16H14FN3O3S2/c1-10-19-14-7-6-13(8-15(14)24-10)25(22,23)18-9-16(21)20-12-4-2-11(17)3-5-12/h2-8,18H,9H2,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=52.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.436 g/mol  logS: -4.19167  SlogP: 2.66082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394577  Sterimol/B1: 2.38348  Sterimol/B2: 3.84131  Sterimol/B3: 3.87632
  Sterimol/B4: 8.49954  Sterimol/L: 18.8777 
 
 Surface and Volume Properties
  Accessible surface: 600.574  Positive charged surface: 293.909  Negative charged surface: 306.665  Volume: 313.875
  Hydrophobic surface: 451.723  Hydrophilic surface: 148.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.