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APOLLO-ZINC01706928

 MMsINC code: MMs00049859
Type: Neutral
Formula: C11H18O6
SMILES:   O(C(=O)C(CCC(OC)=O)CCC(OC)=O)C
InChI:   InChI=1/C11H18O6/c1-15-9(12)6-4-8(11(14)17-3)5-7-10(13)16-2/h8H,4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.259 g/mol  logS: -0.73891  SlogP: 0.682  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0385177  Sterimol/B1: 2.64961  Sterimol/B2: 3.0237  Sterimol/B3: 3.21617
  Sterimol/B4: 6.44102  Sterimol/L: 16.9627 
 
 Surface and Volume Properties
  Accessible surface: 504.772  Positive charged surface: 409.688  Negative charged surface: 95.0832  Volume: 234
  Hydrophobic surface: 392.167  Hydrophilic surface: 112.605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.