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ASINEX-ZINC01325622

 MMsINC code: MMs00235094
Type: Neutral
Formula: C20H26N2O4S2
SMILES:   S(=O)(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChI:   InChI=1/C20H26N2O4S2/c23-27(24,21-16-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)28(25,26)22-18-9-5-2-6-10-18/h1,3-4,7-8,11-14,18,21-22H,2,5-6,9-10,15-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.4364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.57 g/mol  logS: -4.36135  SlogP: 2.81857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946661  Sterimol/B1: 2.4915  Sterimol/B2: 4.67219  Sterimol/B3: 5.14686
  Sterimol/B4: 8.76021  Sterimol/L: 17.5743 
 
 Surface and Volume Properties
  Accessible surface: 687.55  Positive charged surface: 395.386  Negative charged surface: 292.163  Volume: 383.375
  Hydrophobic surface: 530.648  Hydrophilic surface: 156.902
 
 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.