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CHEMBLOCK-ZINC01075644

 MMsINC code: MMs00514205
Type: Neutral
Formula: C13H15NO3S2
SMILES:   s1c(C)c(S(=O)(=O)Nc2cc(OC)ccc2)cc1C
InChI:   InChI=1/C13H15NO3S2/c1-9-7-13(10(2)18-9)19(15,16)14-11-5-4-6-12(8-11)17-3/h4-8,14H,1-3H3

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Potential Energy
Epot(MMFF94)=51.7844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -3.37763  SlogP: 3.17434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263684  Sterimol/B1: 2.06684  Sterimol/B2: 3.68006  Sterimol/B3: 4.93801
  Sterimol/B4: 7.62589  Sterimol/L: 12.2134 
 
 Surface and Volume Properties
  Accessible surface: 494.388  Positive charged surface: 282.446  Negative charged surface: 211.942  Volume: 263.125
  Hydrophobic surface: 410.641  Hydrophilic surface: 83.747
 
 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.