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ENAMINE-ZINC03260424

 MMsINC code: MMs01336412
Type: Neutral
Formula: C19H16N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(cc1)-c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16N2O2S/c22-24(23,19-9-5-2-6-10-19)21-20-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15,21H/b20-15+

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Potential Energy
Epot(MMFF94)=111.289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.415 g/mol  logS: -5.93902  SlogP: 3.666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468719  Sterimol/B1: 3.66643  Sterimol/B2: 3.77613  Sterimol/B3: 4.44273
  Sterimol/B4: 6.05441  Sterimol/L: 17.0167 
 
 Surface and Volume Properties
  Accessible surface: 594.634  Positive charged surface: 279.114  Negative charged surface: 304.448  Volume: 314.75
  Hydrophobic surface: 486.118  Hydrophilic surface: 108.516
 
 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.