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PUBCHEM-ZINC01141703

 MMsINC code: MMs02778077
Type: Neutral
Formula: C24H23N3O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2)cc1
InChI:   InChI=1/C24H23N3O5S/c28-23(18-5-2-1-3-6-18)26-21-8-4-7-19(17-21)24(29)25-20-9-11-22(12-10-20)33(30,31)27-13-15-32-16-14-27/h1-12,17H,13-16H2,(H,25,29)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.53 g/mol  logS: -5.5299  SlogP: 3.2121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221911  Sterimol/B1: 3.23046  Sterimol/B2: 3.87742  Sterimol/B3: 3.93832
  Sterimol/B4: 8.68122  Sterimol/L: 22.5427 
 
 Surface and Volume Properties
  Accessible surface: 741.126  Positive charged surface: 437.547  Negative charged surface: 303.579  Volume: 417.25
  Hydrophobic surface: 598.879  Hydrophilic surface: 142.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.