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SIAL-ZINC04566171

 MMsINC code: MMs03923291
Type: Neutral
Formula: C14H28O8
SMILES:   O1CCOCCOCCOCCOCCOC(CO)C1CO
InChI:   InChI=1/C14H28O8/c15-11-13-14(12-16)22-10-8-20-6-4-18-2-1-17-3-5-19-7-9-21-13/h13-16H,1-12H2/t13-,14-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=181.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.37 g/mol  logS: -0.19014  SlogP: -1.1786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194006  Sterimol/B1: 3.60304  Sterimol/B2: 4.14562  Sterimol/B3: 5.18708
  Sterimol/B4: 6.8192  Sterimol/L: 12.1938 
 
 Surface and Volume Properties
  Accessible surface: 532.398  Positive charged surface: 514.997  Negative charged surface: 17.4019  Volume: 309.875
  Hydrophobic surface: 474.96  Hydrophilic surface: 57.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.