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ENAMINE-ZINC05034858

 MMsINC code: MMs01577960
Type: Neutral
Formula: C18H16N2O2S2
SMILES:   s1c2c(nc1SCC(=O)c1ccc(NC(=O)CC)cc1)cccc2
InChI:   InChI=1/C18H16N2O2S2/c1-2-17(22)19-13-9-7-12(8-10-13)15(21)11-23-18-20-14-5-3-4-6-16(14)24-18/h3-10H,2,11H2,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=74.9767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.47 g/mol  logS: -6.2036  SlogP: 4.6198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00759881  Sterimol/B1: 2.13396  Sterimol/B2: 2.5584  Sterimol/B3: 3.18987
  Sterimol/B4: 8.10748  Sterimol/L: 19.9889 
 
 Surface and Volume Properties
  Accessible surface: 621.944  Positive charged surface: 333.923  Negative charged surface: 288.021  Volume: 324.625
  Hydrophobic surface: 448.308  Hydrophilic surface: 173.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.