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ASINEX-ZINC04986187

 MMsINC code: MMs00423052
Type: Neutral
Formula: C17H26N2O4S2
SMILES:   S(C)c1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NCCCOC)cc1
InChI:   InChI=1/C17H26N2O4S2/c1-23-13-3-10-18-17(20)14-8-11-19(12-9-14)25(21,22)16-6-4-15(24-2)5-7-16/h4-7,14H,3,8-13H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=32.3799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.537 g/mol  logS: -3.14568  SlogP: 1.9619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849707  Sterimol/B1: 3.80361  Sterimol/B2: 4.70737  Sterimol/B3: 5.05088
  Sterimol/B4: 6.85545  Sterimol/L: 18.2925 
 
 Surface and Volume Properties
  Accessible surface: 657.309  Positive charged surface: 446.568  Negative charged surface: 210.741  Volume: 356.625
  Hydrophobic surface: 507.867  Hydrophilic surface: 149.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.