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CHEMDIV-ZINC06767051

 MMsINC code: MMs01016824
Type: Neutral
Formula: C24H24N2O3S
SMILES:   S(=O)(=O)(N1CCc2cc(ccc12)C(=O)Nc1cc(C)c(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C24H24N2O3S/c1-16-4-9-22(10-5-16)30(28,29)26-13-12-19-15-20(7-11-23(19)26)24(27)25-21-8-6-17(2)18(3)14-21/h4-11,14-15H,12-13H2,1-3H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -6.69792  SlogP: 4.61553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400855  Sterimol/B1: 2.15828  Sterimol/B2: 2.39099  Sterimol/B3: 5.82725
  Sterimol/B4: 9.48476  Sterimol/L: 19.5642 
 
 Surface and Volume Properties
  Accessible surface: 704.258  Positive charged surface: 399.301  Negative charged surface: 304.957  Volume: 396.5
  Hydrophobic surface: 613.419  Hydrophilic surface: 90.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.