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CHEMBRIDGE-ZINC04894356

 MMsINC code: MMs00809403
Type: Neutral
Formula: C22H36N2O2S
SMILES:   S(CCC(=O)NCCC=1CCCCC=1)CCC(=O)NCCC=1CCCCC=1
InChI:   InChI=1/C22H36N2O2S/c25-21(23-15-11-19-7-3-1-4-8-19)13-17-27-18-14-22(26)24-16-12-20-9-5-2-6-10-20/h7,9H,1-6,8,10-18H2,(H,23,25)(H,24,26)

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Potential Energy
Epot(MMFF94)=23.3162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.608 g/mol  logS: -4.6261  SlogP: 4.5132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180494  Sterimol/B1: 2.66654  Sterimol/B2: 3.54996  Sterimol/B3: 3.56845
  Sterimol/B4: 5.39658  Sterimol/L: 26.7974 
 
 Surface and Volume Properties
  Accessible surface: 788.142  Positive charged surface: 601.579  Negative charged surface: 186.563  Volume: 413.625
  Hydrophobic surface: 634.832  Hydrophilic surface: 153.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.