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ENAMINE-ZINC06553544

 MMsINC code: MMs01673173
Type: Neutral
Formula: C20H16N2OS2
SMILES:   s1cccc1CC(=O)Nc1ccc(cc1)Cc1sc2c(n1)cccc2
InChI:   InChI=1/C20H16N2OS2/c23-19(13-16-4-3-11-24-16)21-15-9-7-14(8-10-15)12-20-22-17-5-1-2-6-18(17)25-20/h1-11H,12-13H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=84.9787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.493 g/mol  logS: -5.54287  SlogP: 5.12974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645868  Sterimol/B1: 2.52859  Sterimol/B2: 4.37349  Sterimol/B3: 4.54901
  Sterimol/B4: 5.93481  Sterimol/L: 19.3558 
 
 Surface and Volume Properties
  Accessible surface: 634.602  Positive charged surface: 338.957  Negative charged surface: 295.645  Volume: 338.5
  Hydrophobic surface: 580.256  Hydrophilic surface: 54.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.