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ASINEX-ZINC00656257

 MMsINC code: MMs00146200
Type: Neutral
Formula: C24H27N3O5S
SMILES:   S(=O)(=O)(N(CC(=O)NCc1ccncc1)c1cc(cc(c1)C)C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C24H27N3O5S/c1-17-11-18(2)13-20(12-17)27(16-24(28)26-15-19-7-9-25-10-8-19)33(29,30)21-5-6-22(31-3)23(14-21)32-4/h5-14H,15-16H2,1-4H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=114.439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.562 g/mol  logS: -4.85323  SlogP: 3.49374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123595  Sterimol/B1: 2.08844  Sterimol/B2: 4.18549  Sterimol/B3: 7.31293
  Sterimol/B4: 10.4791  Sterimol/L: 18.1714 
 
 Surface and Volume Properties
  Accessible surface: 772.057  Positive charged surface: 550.451  Negative charged surface: 221.606  Volume: 439.125
  Hydrophobic surface: 651.215  Hydrophilic surface: 120.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.