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PUBCHEM-ZINC00683090

 MMsINC code: MMs02727036
Type: Neutral
Formula: C28H24N2O4S
SMILES:   S(=O)(=O)(c1ccc(NC(=O)c2cc(ccc2)C)cc1)c1ccc(NC(=O)c2cc(ccc2)
C)cc1
InChI:   InChI=1/C28H24N2O4S/c1-19-5-3-7-21(17-19)27(31)29-23-9-13-25(14-10-23)35(33,34)26-15-11-24(12-16-26)30-28(32)22-8-4-6-20(2)18-22/h3-18H,1-2H3,(H,29,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.576 g/mol  logS: -8.23725  SlogP: 5.64084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042657  Sterimol/B1: 2.88692  Sterimol/B2: 3.39067  Sterimol/B3: 5.4122
  Sterimol/B4: 7.12596  Sterimol/L: 25.6992 
 
 Surface and Volume Properties
  Accessible surface: 798.679  Positive charged surface: 414.397  Negative charged surface: 384.282  Volume: 453
  Hydrophobic surface: 669.446  Hydrophilic surface: 129.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.