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PUBCHEM-ZINC01068375

 MMsINC code: MMs02763631
Type: Neutral
Formula: C21H20N2O4S
SMILES:   S(=O)(=O)(N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1)C
InChI:   InChI=1/C21H20N2O4S/c1-28(26,27)23(19-15-9-4-10-16-19)22-20(24)21(25,17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,25H,1H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=160.552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.467 g/mol  logS: -4.73462  SlogP: 2.7314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221326  Sterimol/B1: 2.53349  Sterimol/B2: 4.37785  Sterimol/B3: 4.56779
  Sterimol/B4: 10.3652  Sterimol/L: 14.1143 
 
 Surface and Volume Properties
  Accessible surface: 626.521  Positive charged surface: 324.184  Negative charged surface: 302.337  Volume: 364.375
  Hydrophobic surface: 531.387  Hydrophilic surface: 95.134
 
 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.