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PUBCHEM-ZINC00180601

 MMsINC code: MMs02636974
Type: Neutral
Formula: C16H12N2O4S
SMILES:   S=C1NC(=O)C(=Cc2oc(cc2)-c2ccc(OC)cc2)C(=O)N1
InChI:   InChI=1/C16H12N2O4S/c1-21-10-4-2-9(3-5-10)13-7-6-11(22-13)8-12-14(19)17-16(23)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,23)

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Potential Energy
Epot(MMFF94)=36.3508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.348 g/mol  logS: -6.26151  SlogP: 1.8695  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0229977  Sterimol/B1: 2.94668  Sterimol/B2: 3.06865  Sterimol/B3: 4.84097
  Sterimol/B4: 6.21247  Sterimol/L: 16.9284 
 
 Surface and Volume Properties
  Accessible surface: 547.01  Positive charged surface: 298.834  Negative charged surface: 248.177  Volume: 286
  Hydrophobic surface: 329.105  Hydrophilic surface: 217.905
 
 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.