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ASINEX-ZINC00206910

 MMsINC code: MMs00092295
Type: Neutral
Formula: C16H12N2O3S2
SMILES:   s1ccnc1NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1
InChI:   InChI=1/C16H12N2O3S2/c19-15(18-16-17-10-11-22-16)12-6-8-14(9-7-12)23(20,21)13-4-2-1-3-5-13/h1-11H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=74.2667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.415 g/mol  logS: -4.79079  SlogP: 3.2282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783686  Sterimol/B1: 2.32805  Sterimol/B2: 3.31054  Sterimol/B3: 5.31264
  Sterimol/B4: 6.22134  Sterimol/L: 17.0839 
 
 Surface and Volume Properties
  Accessible surface: 552.739  Positive charged surface: 258.611  Negative charged surface: 294.128  Volume: 294.875
  Hydrophobic surface: 424.828  Hydrophilic surface: 127.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.