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ENAMINE-ZINC02737676

 MMsINC code: MMs01287090
Type: Neutral
Formula: C15H16N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(cc1)CC)c1ccccc1
InChI:   InChI=1/C15H16N2O2S/c1-2-13-8-10-14(11-9-13)12-16-17-20(18,19)15-6-4-3-5-7-15/h3-12,17H,2H2,1H3/b16-12+

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Potential Energy
Epot(MMFF94)=78.5538 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.371 g/mol  logS: -4.50178  SlogP: 2.56137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716372  Sterimol/B1: 2.99355  Sterimol/B2: 3.33612  Sterimol/B3: 4.76079
  Sterimol/B4: 6.11854  Sterimol/L: 14.6261 
 
 Surface and Volume Properties
  Accessible surface: 540.082  Positive charged surface: 296.666  Negative charged surface: 243.416  Volume: 273.375
  Hydrophobic surface: 406.17  Hydrophilic surface: 133.912
 
 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.