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ASINEX-ZINC00921085

 MMsINC code: MMs00221099
Type: Neutral
Formula: C24H26N2O4S2
SMILES:   S(=O)(=O)(NC1CCc2c1cccc2)c1ccc(S(=O)(=O)N(Cc2ccccc2)CC)cc1
InChI:   InChI=1/C24H26N2O4S2/c1-2-26(18-19-8-4-3-5-9-19)32(29,30)22-15-13-21(14-16-22)31(27,28)25-24-17-12-20-10-6-7-11-23(20)24/h3-11,13-16,24-25H,2,12,17-18H2,1H3/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.614 g/mol  logS: -5.38507  SlogP: 4.22507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522482  Sterimol/B1: 2.30659  Sterimol/B2: 3.24137  Sterimol/B3: 5.59784
  Sterimol/B4: 8.87207  Sterimol/L: 19.4206 
 
 Surface and Volume Properties
  Accessible surface: 710.634  Positive charged surface: 387.349  Negative charged surface: 323.285  Volume: 431.5
  Hydrophobic surface: 563.904  Hydrophilic surface: 146.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.