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NCID-ZINC01669799

 MMsINC code: MMs02305867
Type: Neutral
Formula: C17H14N2O4S
SMILES:   S(O)(=O)(=O)c1cc2c(cc(NC(=O)c3ccc(N)cc3)cc2)cc1
InChI:   InChI=1/C17H14N2O4S/c18-14-5-1-11(2-6-14)17(20)19-15-7-3-13-10-16(24(21,22)23)8-4-12(13)9-15/h1-10H,18H2,(H,19,20)(H,21,22,23)

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Potential Energy
Epot(MMFF94)=80.0219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.375 g/mol  logS: -5.0037  SlogP: 2.3553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144791  Sterimol/B1: 2.19458  Sterimol/B2: 2.63197  Sterimol/B3: 3.61702
  Sterimol/B4: 5.73671  Sterimol/L: 19.05 
 
 Surface and Volume Properties
  Accessible surface: 563.1  Positive charged surface: 276.841  Negative charged surface: 274.871  Volume: 293.125
  Hydrophobic surface: 344.663  Hydrophilic surface: 218.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs02305868
NCID-ZINC01669799