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ENAMINE-ZINC01719482

 MMsINC code: MMs01243621
Type: Neutral
Formula: C20H16N2O2S
SMILES:   S(=O)(=O)(NN=C1c2c(-c3c1cccc3)cccc2)c1ccc(cc1)C
InChI:   InChI=1/C20H16N2O2S/c1-14-10-12-15(13-11-14)25(23,24)22-21-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,22H,1H3

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Potential Energy
Epot(MMFF94)=133.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.426 g/mol  logS: -6.83414  SlogP: 3.70632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729614  Sterimol/B1: 2.55325  Sterimol/B2: 4.99484  Sterimol/B3: 5.87989
  Sterimol/B4: 6.74945  Sterimol/L: 15.569 
 
 Surface and Volume Properties
  Accessible surface: 592.537  Positive charged surface: 286.931  Negative charged surface: 293.391  Volume: 322.5
  Hydrophobic surface: 507.448  Hydrophilic surface: 85.089
 
 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.