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ASINEX-ZINC02831540

 MMsINC code: MMs00278797
Type: Neutral
Formula: C22H16N2S2
SMILES:   s1cccc1\C=N\c1ccc(cc1)-c1ccc(\N=C\c2sccc2)cc1
InChI:   InChI=1/C22H16N2S2/c1-3-21(25-13-1)15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-22-4-2-14-26-22/h1-16H/b23-15+,24-16+

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Potential Energy
Epot(MMFF94)=87.0198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.516 g/mol  logS: -7.27408  SlogP: 6.9778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156877  Sterimol/B1: 2.40557  Sterimol/B2: 3.68943  Sterimol/B3: 3.78435
  Sterimol/B4: 4.3231  Sterimol/L: 23.6452 
 
 Surface and Volume Properties
  Accessible surface: 666.264  Positive charged surface: 298.385  Negative charged surface: 355.76  Volume: 356.125
  Hydrophobic surface: 629.888  Hydrophilic surface: 36.376
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.