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PUBCHEM-ZINC00660577

 MMsINC code: MMs02722420
Type: Neutral
Formula: C26H24N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1c2c(ccc1)cccc2)c1ccc(cc1)C)c1ccc(OC)cc1
InChI:   InChI=1/C26H24N2O4S/c1-19-10-12-21(13-11-19)28(33(30,31)23-16-14-22(32-2)15-17-23)18-26(29)27-25-9-5-7-20-6-3-4-8-24(20)25/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)=137.202 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: 0.105041  Sterimol/B1: 2.02639  Sterimol/B2: 3.97635  Sterimol/B3: 5.75962
  Sterimol/B4: 11.47  Sterimol/L: 19.6375 
 
 Surface and Volume Properties
  Accessible surface: 749.275  Positive charged surface: 434.476  Negative charged surface: 304.442  Volume: 428.25
  Hydrophobic surface: 669.297  Hydrophilic surface: 79.978
 
 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.