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ENAMINE-ZINC06114842

 MMsINC code: MMs01658390
Type: Neutral
Formula: C19H16N2O4S2
SMILES:   s1cccc1C(=O)Nc1cc(ccc1)C(OCC(=O)NCc1sccc1)=O
InChI:   InChI=1/C19H16N2O4S2/c22-17(20-11-15-6-2-8-26-15)12-25-19(24)13-4-1-5-14(10-13)21-18(23)16-7-3-9-27-16/h1-10H,11-12H2,(H,20,22)(H,21,23)

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Potential Energy
Epot(MMFF94)=71.0082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.479 g/mol  logS: -5.29041  SlogP: 3.8015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0135717  Sterimol/B1: 2.54989  Sterimol/B2: 3.54787  Sterimol/B3: 3.59695
  Sterimol/B4: 8.28924  Sterimol/L: 22.6195 
 
 Surface and Volume Properties
  Accessible surface: 680.916  Positive charged surface: 331.845  Negative charged surface: 349.071  Volume: 353.5
  Hydrophobic surface: 545.789  Hydrophilic surface: 135.127
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.