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ASINEX-ZINC01325296

 MMsINC code: MMs00234876
Type: Neutral
Formula: C21H26N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NC2CCc3c2cccc3)cc1
InChI:   InChI=1/C21H26N2O4S2/c24-28(25,22-17-7-2-1-3-8-17)18-11-13-19(14-12-18)29(26,27)23-21-15-10-16-6-4-5-9-20(16)21/h4-6,9,11-14,17,21-23H,1-3,7-8,10,15H2/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=14.4155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.581 g/mol  logS: -4.68552  SlogP: 3.35887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957183  Sterimol/B1: 3.09401  Sterimol/B2: 3.38379  Sterimol/B3: 6.39339
  Sterimol/B4: 6.69332  Sterimol/L: 17.7597 
 
 Surface and Volume Properties
  Accessible surface: 671.209  Positive charged surface: 398.835  Negative charged surface: 272.374  Volume: 391.125
  Hydrophobic surface: 519.617  Hydrophilic surface: 151.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.