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IBS-ZINC02382866

 MMsINC code: MMs01848193
Type: Neutral
Formula: C15H18N2O6S2
SMILES:   S(=O)(=O)(Nc1cc(OC)ccc1OC)c1ccc(NS(=O)(=O)C)cc1
InChI:   InChI=1/C15H18N2O6S2/c1-22-12-6-9-15(23-2)14(10-12)17-25(20,21)13-7-4-11(5-8-13)16-24(3,18)19/h4-10,16-17H,1-3H3

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Potential Energy
Epot(MMFF94)=63.8698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.449 g/mol  logS: -2.98546  SlogP: 1.8761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178732  Sterimol/B1: 2.50382  Sterimol/B2: 4.09926  Sterimol/B3: 5.20251
  Sterimol/B4: 9.15483  Sterimol/L: 14.1971 
 
 Surface and Volume Properties
  Accessible surface: 597.575  Positive charged surface: 368.527  Negative charged surface: 229.049  Volume: 321.875
  Hydrophobic surface: 410.863  Hydrophilic surface: 186.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.