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ASINEX-ZINC00933635

 MMsINC code: MMs00225958
Type: Neutral
Formula: C24H26N2O4S2
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChI:   InChI=1/C24H26N2O4S2/c27-31(28,25-17-7-8-18-25)23-13-15-24(16-14-23)32(29,30)26(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-6,9-16H,7-8,17-20H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.614 g/mol  logS: -5.30018  SlogP: 4.395  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721121  Sterimol/B1: 2.31359  Sterimol/B2: 3.77315  Sterimol/B3: 5.09111
  Sterimol/B4: 10.4366  Sterimol/L: 18.6748 
 
 Surface and Volume Properties
  Accessible surface: 694.528  Positive charged surface: 398.671  Negative charged surface: 295.857  Volume: 431.125
  Hydrophobic surface: 577.322  Hydrophilic surface: 117.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.