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PUBCHEM-ZINC06595295

 MMsINC code: MMs03813544
Type: Neutral
Formula: C20H26N2O5S
SMILES:   S(=O)(=O)(N(CC(OCC)OCC)c1ccccc1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C20H26N2O5S/c1-4-26-20(27-5-2)15-22(18-9-7-6-8-10-18)28(24,25)19-13-11-17(12-14-19)21-16(3)23/h6-14,20H,4-5,15H2,1-3H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=122.252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.503 g/mol  logS: -4.15218  SlogP: 3.2394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18088  Sterimol/B1: 2.2625  Sterimol/B2: 2.46256  Sterimol/B3: 6.69536
  Sterimol/B4: 7.60697  Sterimol/L: 16.3705 
 
 Surface and Volume Properties
  Accessible surface: 603.551  Positive charged surface: 380.513  Negative charged surface: 223.038  Volume: 376.375
  Hydrophobic surface: 465.968  Hydrophilic surface: 137.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.