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PUBCHEM-ZINC01476356

 MMsINC code: MMs02811660
Type: Neutral
Formula: C19H17NO2S2
SMILES:   S1\C(=C(\C)/c2ccc(O)cc2)\C(=O)N(c2cc(C)c(cc2)C)C1=S
InChI:   InChI=1/C19H17NO2S2/c1-11-4-7-15(10-12(11)2)20-18(22)17(24-19(20)23)13(3)14-5-8-16(21)9-6-14/h4-10,21H,1-3H3/b17-13+

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Potential Energy
Epot(MMFF94)=106.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.482 g/mol  logS: -6.66465  SlogP: 4.80494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119883  Sterimol/B1: 3.50392  Sterimol/B2: 4.42007  Sterimol/B3: 4.87676
  Sterimol/B4: 7.5912  Sterimol/L: 14.4022 
 
 Surface and Volume Properties
  Accessible surface: 598.581  Positive charged surface: 316.111  Negative charged surface: 282.47  Volume: 330.75
  Hydrophobic surface: 431.719  Hydrophilic surface: 166.862
 
 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.