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CHEMBRIDGE-ZINC04750458

 MMsINC code: MMs00783924
Type: Neutral
Formula: C18H16N2O2S2
SMILES:   s1cc(-c2cc(C)c(cc2)C)c(C(=O)N)c1NC(=O)c1sccc1
InChI:   InChI=1/C18H16N2O2S2/c1-10-5-6-12(8-11(10)2)13-9-24-18(15(13)16(19)21)20-17(22)14-4-3-7-23-14/h3-9H,1-2H3,(H2,19,21)(H,20,22)

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Potential Energy
Epot(MMFF94)=74.4781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.47 g/mol  logS: -6.75289  SlogP: 4.44464  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382708  Sterimol/B1: 2.92033  Sterimol/B2: 3.04451  Sterimol/B3: 3.95137
  Sterimol/B4: 5.50818  Sterimol/L: 18.3969 
 
 Surface and Volume Properties
  Accessible surface: 597.096  Positive charged surface: 286.258  Negative charged surface: 310.839  Volume: 323.5
  Hydrophobic surface: 475.961  Hydrophilic surface: 121.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.