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ASINEX-ZINC01325292

 MMsINC code: MMs00234874
Type: Neutral
Formula: C15H22N2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C15H22N2O4S2/c18-22(19,16-12-4-2-1-3-5-12)14-8-10-15(11-9-14)23(20,21)17-13-6-7-13/h8-13,16-17H,1-7H2

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Potential Energy
Epot(MMFF94)=5.45338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.483 g/mol  logS: -3.08436  SlogP: 1.7383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108413  Sterimol/B1: 3.35443  Sterimol/B2: 4.14872  Sterimol/B3: 4.88518
  Sterimol/B4: 6.05235  Sterimol/L: 16.3798 
 
 Surface and Volume Properties
  Accessible surface: 583.431  Positive charged surface: 347.457  Negative charged surface: 235.974  Volume: 317.625
  Hydrophobic surface: 385.706  Hydrophilic surface: 197.725
 
 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.