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ASINEX-ZINC06679453

 MMsINC code: MMs00443509
Type: Neutral
Formula: C14H16N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1O
InChI:   InChI=1/C14H16N2O4S2/c1-9-13(22(19,20)16(2)3)8-12(21-9)14(18)15-10-6-4-5-7-11(10)17/h4-8,17H,1-3H3,(H,15,18)

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Potential Energy
Epot(MMFF94)=66.9331 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -3.02654  SlogP: 2.26472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561292  Sterimol/B1: 2.45195  Sterimol/B2: 2.99104  Sterimol/B3: 4.78454
  Sterimol/B4: 6.31505  Sterimol/L: 17.0746 
 
 Surface and Volume Properties
  Accessible surface: 547.744  Positive charged surface: 315.007  Negative charged surface: 232.737  Volume: 291.125
  Hydrophobic surface: 408.964  Hydrophilic surface: 138.78
 
 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.