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ASINEX-ZINC06679587

 MMsINC code: MMs00443613
Type: Neutral
Formula: C13H16N2O3S3
SMILES:   s1c(C)c(S(=O)(=O)N(C)C)cc1C(=O)NCc1sccc1
InChI:   InChI=1/C13H16N2O3S3/c1-9-12(21(17,18)15(2)3)7-11(20-9)13(16)14-8-10-5-4-6-19-10/h4-7H,8H2,1-3H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=31.2623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.48 g/mol  logS: -3.1392  SlogP: 2.56472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622915  Sterimol/B1: 2.40749  Sterimol/B2: 3.3397  Sterimol/B3: 4.24751
  Sterimol/B4: 6.4673  Sterimol/L: 16.9728 
 
 Surface and Volume Properties
  Accessible surface: 557.973  Positive charged surface: 294.673  Negative charged surface: 263.3  Volume: 293.25
  Hydrophobic surface: 452.414  Hydrophilic surface: 105.559
 
 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.