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ASINEX-ZINC00249498

 MMsINC code: MMs00099244
Type: Neutral
Formula: C12H11NO4S2
SMILES:   s1cccc1S(=O)(=O)NCc1cc2OCOc2cc1
InChI:   InChI=1/C12H11NO4S2/c14-19(15,12-2-1-5-18-12)13-7-9-3-4-10-11(6-9)17-8-16-10/h1-6,13H,7-8H2

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Potential Energy
Epot(MMFF94)=32.9695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.355 g/mol  logS: -2.91087  SlogP: 2.2217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619473  Sterimol/B1: 3.31126  Sterimol/B2: 3.66271  Sterimol/B3: 3.95424
  Sterimol/B4: 5.43395  Sterimol/L: 15.4669 
 
 Surface and Volume Properties
  Accessible surface: 487.73  Positive charged surface: 247.549  Negative charged surface: 240.181  Volume: 244.5
  Hydrophobic surface: 345.886  Hydrophilic surface: 141.844
 
 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.