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ASINEX-ZINC06681187

 MMsINC code: MMs00444772
Type: Neutral
Formula: C16H15N3O3S3
SMILES:   s1cc(S(=O)(=O)N(C)c2cc(ccc2)C)cc1C(=O)Nc1sccn1
InChI:   InChI=1/C16H15N3O3S3/c1-11-4-3-5-12(8-11)19(2)25(21,22)13-9-14(24-10-13)15(20)18-16-17-6-7-23-16/h3-10H,1-2H3,(H,17,18,20)

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Potential Energy
Epot(MMFF94)=74.1386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.512 g/mol  logS: -4.84425  SlogP: 3.59042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690085  Sterimol/B1: 2.19065  Sterimol/B2: 4.32714  Sterimol/B3: 4.87172
  Sterimol/B4: 6.31996  Sterimol/L: 18.945 
 
 Surface and Volume Properties
  Accessible surface: 603.057  Positive charged surface: 299.357  Negative charged surface: 303.7  Volume: 329.375
  Hydrophobic surface: 474.573  Hydrophilic surface: 128.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.