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PUBCHEM-ZINC04260995

 MMsINC code: MMs03108721
Type: Neutral
Formula: C25H20N2O4S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(OC(=O)c2c3c(ccc2)cccc3)cc1)c1ccc(cc1)C
InChI:   InChI=1/C25H20N2O4S/c1-18-9-15-22(16-10-18)32(29,30)27-26-17-19-11-13-21(14-12-19)31-25(28)24-8-4-6-20-5-2-3-7-23(20)24/h2-17,27H,1H3/b26-17+

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Potential Energy
Epot(MMFF94)=151.983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.511 g/mol  logS: -7.9785  SlogP: 4.67982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611418  Sterimol/B1: 1.969  Sterimol/B2: 3.49124  Sterimol/B3: 4.62827
  Sterimol/B4: 8.85059  Sterimol/L: 19.3306 
 
 Surface and Volume Properties
  Accessible surface: 740.848  Positive charged surface: 387.941  Negative charged surface: 342.825  Volume: 408.5
  Hydrophobic surface: 609.727  Hydrophilic surface: 131.121
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.