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ENAMINE-ZINC01794585

 MMsINC code: MMs01244416
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-/m0/s1

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Potential Energy
Epot(MMFF94)=30.0184 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: 0.0959623  Sterimol/B1: 2.15516  Sterimol/B2: 3.27874  Sterimol/B3: 4.63607
  Sterimol/B4: 10.4346  Sterimol/L: 15.3144 
 
 Surface and Volume Properties
  Accessible surface: 597.441  Positive charged surface: 289.017  Negative charged surface: 308.424  Volume: 329.75
  Hydrophobic surface: 434.017  Hydrophilic surface: 163.424
 
 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.