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PUBCHEM-ZINC01145350

 MMsINC code: MMs02778695
Type: Neutral
Formula: C23H24N2O4S
SMILES:   S(=O)(=O)(NC(C)c1ccccc1)c1ccc(OCC(=O)NCc2ccccc2)cc1
InChI:   InChI=1/C23H24N2O4S/c1-18(20-10-6-3-7-11-20)25-30(27,28)22-14-12-21(13-15-22)29-17-23(26)24-16-19-8-4-2-5-9-19/h2-15,18,25H,16-17H2,1H3,(H,24,26)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.2027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.521 g/mol  logS: -5.30882  SlogP: 3.7832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368387  Sterimol/B1: 2.60282  Sterimol/B2: 4.85577  Sterimol/B3: 5.34577
  Sterimol/B4: 5.88182  Sterimol/L: 21.497 
 
 Surface and Volume Properties
  Accessible surface: 733.7  Positive charged surface: 401.02  Negative charged surface: 332.679  Volume: 400.625
  Hydrophobic surface: 577.005  Hydrophilic surface: 156.695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.