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PUBCHEM-ZINC05621478

 MMsINC code: MMs03326800
Type: Neutral
Formula: C18H28O6
SMILES:   O1C2C(OC13CCCCC3)C1OC3(OCC1OC2O)CCCCC3
InChI:   InChI=1/C18H28O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13-12(21-16)11-20-17(22-13)7-3-1-4-8-17/h12-16,19H,1-11H2/t12-,13+,14+,15-,16+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.2417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.416 g/mol  logS: -3.48265  SlogP: 2.2238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138416  Sterimol/B1: 2.45636  Sterimol/B2: 3.42619  Sterimol/B3: 4.30374
  Sterimol/B4: 8.46091  Sterimol/L: 13.5559 
 
 Surface and Volume Properties
  Accessible surface: 543.068  Positive charged surface: 433.476  Negative charged surface: 109.593  Volume: 317.75
  Hydrophobic surface: 466.331  Hydrophilic surface: 76.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.