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PUBCHEM-ZINC04664681

 MMsINC code: MMs03149816
Type: Neutral
Formula: C24H34O6
SMILES:   O(CCCCCC)c1cc(\C=C\C(O)=O)c(OCCCCCC)cc1\C=C\C(O)=O
InChI:   InChI=1/C24H34O6/c1-3-5-7-9-15-29-21-17-20(12-14-24(27)28)22(30-16-10-8-6-4-2)18-19(21)11-13-23(25)26/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,25,26)(H,27,28)/b13-11+,14-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.4027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.53 g/mol  logS: -6.58536  SlogP: 5.8004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0090382  Sterimol/B1: 2.37752  Sterimol/B2: 2.37845  Sterimol/B3: 7.91875
  Sterimol/B4: 8.47264  Sterimol/L: 24.4891 
 
 Surface and Volume Properties
  Accessible surface: 826.945  Positive charged surface: 566.819  Negative charged surface: 260.126  Volume: 428.375
  Hydrophobic surface: 574.059  Hydrophilic surface: 252.886
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03149817
PUBCHEM-ZINC04664681