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ENAMINE-ZINC01794583

 MMsINC code: MMs01244414
Type: Neutral
Formula: C18H16N2O3S2
SMILES:   S1\C(=N/CC=C)\N(S(=O)(=O)c2ccccc2)C(=O)C1c1ccccc1
InChI:   InChI=1/C18H16N2O3S2/c1-2-13-19-18-20(25(22,23)15-11-7-4-8-12-15)17(21)16(24-18)14-9-5-3-6-10-14/h2-12,16H,1,13H2/b19-18-/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=29.6219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.469 g/mol  logS: -5.64696  SlogP: 3.3295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.270027  Sterimol/B1: 2.19053  Sterimol/B2: 2.83288  Sterimol/B3: 6.57283
  Sterimol/B4: 9.06463  Sterimol/L: 14.0447 
 
 Surface and Volume Properties
  Accessible surface: 583.471  Positive charged surface: 289.841  Negative charged surface: 293.63  Volume: 331.25
  Hydrophobic surface: 411.721  Hydrophilic surface: 171.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.