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CHEMBLOCK-ZINC05415980

 MMsINC code: MMs00581036
Type: Neutral
Formula: C20H17NO3S
SMILES:   S(Oc1ccccc1\C=N/c1ccccc1)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C20H17NO3S/c1-16-11-13-19(14-12-16)25(22,23)24-20-10-6-5-7-17(20)15-21-18-8-3-2-4-9-18/h2-15H,1H3/b21-15-

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Potential Energy
Epot(MMFF94)=154.799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.426 g/mol  logS: -5.88087  SlogP: 4.51332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217595  Sterimol/B1: 3.29825  Sterimol/B2: 3.35613  Sterimol/B3: 4.42133
  Sterimol/B4: 8.16916  Sterimol/L: 11.8803 
 
 Surface and Volume Properties
  Accessible surface: 521.991  Positive charged surface: 286.675  Negative charged surface: 235.317  Volume: 320.25
  Hydrophobic surface: 433.744  Hydrophilic surface: 88.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.