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PUBCHEM-ZINC04147538

 MMsINC code: MMs03094006
Type: Neutral
Formula: C20H13NO2S2
SMILES:   S1C(C(=O)NC1=S)=C1C=C(OC(=C1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H13NO2S2/c22-19-18(25-20(24)21-19)15-11-16(13-7-3-1-4-8-13)23-17(12-15)14-9-5-2-6-10-14/h1-12H,(H,21,22,24)

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Potential Energy
Epot(MMFF94)=88.4083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.461 g/mol  logS: -7.75408  SlogP: 4.5008  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.61023e-07  Sterimol/B1: 2.33297  Sterimol/B2: 2.33303  Sterimol/B3: 5.17951
  Sterimol/B4: 11.0176  Sterimol/L: 14.7393 
 
 Surface and Volume Properties
  Accessible surface: 597.139  Positive charged surface: 247.597  Negative charged surface: 344.006  Volume: 327.625
  Hydrophobic surface: 410.519  Hydrophilic surface: 186.62
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.