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PUBCHEM-ZINC06272503

 MMsINC code: MMs03651583
Type: Neutral
Formula: C15H16N2O2S
SMILES:   S(=O)(=O)(N\N=C(\C)/c1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C15H16N2O2S/c1-12-8-10-14(11-9-12)13(2)16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-13+

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Potential Energy
Epot(MMFF94)=92.5058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.371 g/mol  logS: -4.29272  SlogP: 2.69752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0811392  Sterimol/B1: 3.1304  Sterimol/B2: 3.62395  Sterimol/B3: 4.54813
  Sterimol/B4: 6.91491  Sterimol/L: 14.2155 
 
 Surface and Volume Properties
  Accessible surface: 528.608  Positive charged surface: 270.991  Negative charged surface: 257.617  Volume: 271.25
  Hydrophobic surface: 440.086  Hydrophilic surface: 88.522
 
 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.