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ASINEX-ZINC00793397

 MMsINC code: MMs00165833
Type: Neutral
Formula: C15H13NO5S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc2c(oc(C)c2C(OC)=O)cc1
InChI:   InChI=1/C15H13NO5S2/c1-9-14(15(17)20-2)11-8-10(5-6-12(11)21-9)16-23(18,19)13-4-3-7-22-13/h3-8,16H,1-2H3

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Potential Energy
Epot(MMFF94)=59.3643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.403 g/mol  logS: -5.15218  SlogP: 3.39012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205411  Sterimol/B1: 3.14538  Sterimol/B2: 3.67405  Sterimol/B3: 5.24252
  Sterimol/B4: 6.75586  Sterimol/L: 12.8715 
 
 Surface and Volume Properties
  Accessible surface: 564.205  Positive charged surface: 284.811  Negative charged surface: 274.644  Volume: 292.5
  Hydrophobic surface: 433.012  Hydrophilic surface: 131.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.