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CHEMBRIDGE-ZINC01299368

 MMsINC code: MMs00693767
Type: Neutral
Formula: C19H16N2OS2
SMILES:   s1c2c(nc1SCC(=O)n1c3c(cccc3)c(C)c1C)cccc2
InChI:   InChI=1/C19H16N2OS2/c1-12-13(2)21(16-9-5-3-7-14(12)16)18(22)11-23-19-20-15-8-4-6-10-17(15)24-19/h3-10H,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=88.5344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.482 g/mol  logS: -6.53255  SlogP: 5.30034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.005862  Sterimol/B1: 2.51216  Sterimol/B2: 2.52088  Sterimol/B3: 4.54923
  Sterimol/B4: 6.06153  Sterimol/L: 17.8527 
 
 Surface and Volume Properties
  Accessible surface: 589.297  Positive charged surface: 290.755  Negative charged surface: 292.736  Volume: 323.75
  Hydrophobic surface: 482.784  Hydrophilic surface: 106.513
 
 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.