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CHEMBLOCK-ZINC03112646

 MMsINC code: MMs00536548
Type: Neutral
Formula: C21H19NO3S
SMILES:   S(Oc1ccccc1\C=N\c1cc(ccc1)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C21H19NO3S/c1-16-10-12-20(13-11-16)26(23,24)25-21-9-4-3-7-18(21)15-22-19-8-5-6-17(2)14-19/h3-15H,1-2H3/b22-15+

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Potential Energy
Epot(MMFF94)=97.1671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.453 g/mol  logS: -6.35479  SlogP: 4.82174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458105  Sterimol/B1: 3.27562  Sterimol/B2: 3.35764  Sterimol/B3: 3.37276
  Sterimol/B4: 8.23034  Sterimol/L: 16.9344 
 
 Surface and Volume Properties
  Accessible surface: 603.344  Positive charged surface: 337.799  Negative charged surface: 265.545  Volume: 345.875
  Hydrophobic surface: 547.115  Hydrophilic surface: 56.229
 
 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.