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ASINEX-ZINC06679895

 MMsINC code: MMs00443856
Type: Neutral
Formula: C13H14N2O3S2
SMILES:   s1c(C)c(S(=O)(=O)Nc2ccc(cc2)C)cc1C(=O)N
InChI:   InChI=1/C13H14N2O3S2/c1-8-3-5-10(6-4-8)15-20(17,18)12-7-11(13(14)16)19-9(12)2/h3-7,15H,1-2H3,(H2,14,16)

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Potential Energy
Epot(MMFF94)=36.7475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.398 g/mol  logS: -3.89282  SlogP: 2.26464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222852  Sterimol/B1: 3.12781  Sterimol/B2: 3.53823  Sterimol/B3: 5.08803
  Sterimol/B4: 6.83352  Sterimol/L: 12.6091 
 
 Surface and Volume Properties
  Accessible surface: 498.835  Positive charged surface: 253.28  Negative charged surface: 245.555  Volume: 264.75
  Hydrophobic surface: 317.142  Hydrophilic surface: 181.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.