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ENAMINE-ZINC03259903

 MMsINC code: MMs01336072
Type: Neutral
Formula: C23H20N2OS2
SMILES:   s1c2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc2nc1SC
InChI:   InChI=1/C23H20N2OS2/c1-27-23-25-20-13-12-18(14-21(20)28-23)24-22(26)15-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19H,15H2,1H3,(H,24,26)

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Potential Energy
Epot(MMFF94)=96.962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.558 g/mol  logS: -7.24897  SlogP: 6.1789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858657  Sterimol/B1: 4.0684  Sterimol/B2: 4.10849  Sterimol/B3: 4.58005
  Sterimol/B4: 5.83512  Sterimol/L: 20.553 
 
 Surface and Volume Properties
  Accessible surface: 691.274  Positive charged surface: 367.387  Negative charged surface: 323.887  Volume: 382.625
  Hydrophobic surface: 592.213  Hydrophilic surface: 99.061
 
 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.