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ASINEX-ZINC06680543

 MMsINC code: MMs00444331
Type: Neutral
Formula: C15H16N2O4S2
SMILES:   s1cc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C15H16N2O4S2/c18-12-5-3-4-11(8-12)16-15(19)14-9-13(10-22-14)23(20,21)17-6-1-2-7-17/h3-5,8-10,18H,1-2,6-7H2,(H,16,19)

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Potential Energy
Epot(MMFF94)=49.63 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -3.26553  SlogP: 2.4905  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483666  Sterimol/B1: 3.36731  Sterimol/B2: 3.96878  Sterimol/B3: 4.91057
  Sterimol/B4: 5.30338  Sterimol/L: 17.1472 
 
 Surface and Volume Properties
  Accessible surface: 571.688  Positive charged surface: 314.958  Negative charged surface: 256.73  Volume: 300.375
  Hydrophobic surface: 417.922  Hydrophilic surface: 153.766
 
 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.