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ASINEX-ZINC06679945

 MMsINC code: MMs00443881
Type: Neutral
Formula: C15H16N2O5S2
SMILES:   s1c(C)c(S(=O)(=O)Nc2ccc(cc2)C(OCC)=O)cc1C(=O)N
InChI:   InChI=1/C15H16N2O5S2/c1-3-22-15(19)10-4-6-11(7-5-10)17-24(20,21)13-8-12(14(16)18)23-9(13)2/h4-8,17H,3H2,1-2H3,(H2,16,18)

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Potential Energy
Epot(MMFF94)=48.9251 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.434 g/mol  logS: -4.12784  SlogP: 2.13292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123918  Sterimol/B1: 3.97685  Sterimol/B2: 4.44293  Sterimol/B3: 5.51015
  Sterimol/B4: 5.8345  Sterimol/L: 15.2631 
 
 Surface and Volume Properties
  Accessible surface: 588.6  Positive charged surface: 317.672  Negative charged surface: 270.928  Volume: 310.5
  Hydrophobic surface: 345.099  Hydrophilic surface: 243.501
 
 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.