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PUBCHEM-ZINC01198280

 MMsINC code: MMs02786612
Type: Neutral
Formula: C26H24N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1c2c(ccc1)cccc2)c1cc(ccc1OC)C)c1ccccc1
InChI:   InChI=1/C26H24N2O4S/c1-19-15-16-25(32-2)24(17-19)28(33(30,31)21-11-4-3-5-12-21)18-26(29)27-23-14-8-10-20-9-6-7-13-22(20)23/h3-17H,18H2,1-2H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.554 g/mol  logS: -7.52091  SlogP: 4.99082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172137  Sterimol/B1: 2.42272  Sterimol/B2: 3.40761  Sterimol/B3: 7.43359
  Sterimol/B4: 8.93251  Sterimol/L: 17.6448 
 
 Surface and Volume Properties
  Accessible surface: 720.986  Positive charged surface: 414.868  Negative charged surface: 293.866  Volume: 431.875
  Hydrophobic surface: 655.686  Hydrophilic surface: 65.3
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.