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ASINEX-ZINC01325274

 MMsINC code: MMs00234862
Type: Neutral
Formula: C25H28N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C25H28N2O4S2/c28-32(29,26-22-14-8-3-9-15-22)23-16-18-24(19-17-23)33(30,31)27-25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,16-19,22,25-27H,3,8-9,14-15H2

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Potential Energy
Epot(MMFF94)=30.7591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.641 g/mol  logS: -6.06778  SlogP: 4.461  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104047  Sterimol/B1: 3.30291  Sterimol/B2: 3.88504  Sterimol/B3: 5.84199
  Sterimol/B4: 6.89701  Sterimol/L: 19.4119 
 
 Surface and Volume Properties
  Accessible surface: 726.213  Positive charged surface: 416.356  Negative charged surface: 309.857  Volume: 441.75
  Hydrophobic surface: 581.449  Hydrophilic surface: 144.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.