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CHEMDIV-ZINC00758043

 MMsINC code: MMs00858718
Type: Neutral
Formula: C28H26N2O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)NCc1ccccc1OC)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H26N2O4S/c1-34-27-15-9-8-10-24(27)20-29-28(31)23-18-16-22(17-19-23)21-30(25-11-4-2-5-12-25)35(32,33)26-13-6-3-7-14-26/h2-19H,20-21H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.592 g/mol  logS: -6.85461  SlogP: 5.5535  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918204  Sterimol/B1: 2.19734  Sterimol/B2: 5.66189  Sterimol/B3: 6.63666
  Sterimol/B4: 7.1437  Sterimol/L: 19.4656 
 
 Surface and Volume Properties
  Accessible surface: 791.178  Positive charged surface: 464.446  Negative charged surface: 326.732  Volume: 459
  Hydrophobic surface: 698.016  Hydrophilic surface: 93.162
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.