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ENAMINE-ZINC02663636

MMsINC code: MMs01283864

Type: Neutral
Formula: C23H19N3O3S2
SMILES:   s1ccnc1NC(=O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)ccc1
InChI:   InChI=1/C23H19N3O3S2/c27-22(25-23-24-14-15-30-23)19-10-7-13-21(16-19)31(28,29)26(20-11-5-2-6-12-20)17-18-8-3-1-4-9-18/h1-16H,17H2,(H,24,25,27)

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Potential Energy
Epot(MMFF94)=115.612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.555 g/mol  logS: -6.33156  SlogP: 5.0573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109825  Sterimol/B1: 2.17891  Sterimol/B2: 2.44304  Sterimol/B3: 6.54608
  Sterimol/B4: 7.98129  Sterimol/L: 18.0979 
 
 Surface and Volume Properties
  Accessible surface: 639.301  Positive charged surface: 319.396  Negative charged surface: 319.905  Volume: 398.5
  Hydrophobic surface: 519.921  Hydrophilic surface: 119.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.