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PUBCHEM-ZINC01129276

MMsINC code: MMs02776014

Type: Neutral
Formula: C24H26N2O4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)Nc1cc(ccc1OC)C)C
InChI:   InChI=1/C24H26N2O4S/c1-17-9-14-23(30-3)22(15-17)25-24(27)19-10-12-21(13-11-19)26(31(4,28)29)16-20-8-6-5-7-18(20)2/h5-15H,16H2,1-4H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=137.92 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.548 g/mol  logS: -6.03455  SlogP: 4.79694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719899  Sterimol/B1: 3.91069  Sterimol/B2: 3.91466  Sterimol/B3: 4.77331
  Sterimol/B4: 7.80882  Sterimol/L: 17.3826 
 
 Surface and Volume Properties
  Accessible surface: 724  Positive charged surface: 436.091  Negative charged surface: 287.909  Volume: 412.625
  Hydrophobic surface: 631.128  Hydrophilic surface: 92.872
 
 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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.