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PUBCHEM-ZINC05259949

 MMsINC code: MMs03228506
Type: Neutral
Formula: C16H18N2O5S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(=O)CC)cc1)c1ccc(cc1)C
InChI:   InChI=1/C16H18N2O5S2/c1-3-16(19)18-25(22,23)15-10-6-13(7-11-15)17-24(20,21)14-8-4-12(2)5-9-14/h4-11,17H,3H2,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=10.1768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.461 g/mol  logS: -4.15495  SlogP: 2.01072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814915  Sterimol/B1: 2.57112  Sterimol/B2: 4.74895  Sterimol/B3: 5.06688
  Sterimol/B4: 5.73175  Sterimol/L: 17.2207 
 
 Surface and Volume Properties
  Accessible surface: 605.739  Positive charged surface: 327.95  Negative charged surface: 277.789  Volume: 323.75
  Hydrophobic surface: 400.113  Hydrophilic surface: 205.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.