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NCID-ZINC01725449

MMsINC code: MMs02349287

Type: Neutral
Formula: C20H26O4S2
SMILES:   S(=O)(=O)(CCCc1ccccc1)CCS(=O)(=O)CCCc1ccccc1
InChI:   InChI=1/C20H26O4S2/c21-25(22,15-7-13-19-9-3-1-4-10-19)17-18-26(23,24)16-8-14-20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=38.0011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.556 g/mol  logS: -3.87516  SlogP: 3.08154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0208738  Sterimol/B1: 2.51305  Sterimol/B2: 3.61716  Sterimol/B3: 3.61864
  Sterimol/B4: 3.97444  Sterimol/L: 24.3547 
 
 Surface and Volume Properties
  Accessible surface: 708.58  Positive charged surface: 386.667  Negative charged surface: 321.913  Volume: 373.75
  Hydrophobic surface: 592.909  Hydrophilic surface: 115.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.