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NCID-ZINC01714651

 MMsINC code: MMs02340762
Type: Neutral
Formula: C9H14O5
SMILES:   O(C(=O)CCC(=O)CCC(OC)=O)C
InChI:   InChI=1/C9H14O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.5796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.206 g/mol  logS: -0.26591  SlogP: 0.4619  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0198539  Sterimol/B1: 2.37542  Sterimol/B2: 2.37563  Sterimol/B3: 2.83425
  Sterimol/B4: 3.58634  Sterimol/L: 17.0057 
 
 Surface and Volume Properties
  Accessible surface: 437.718  Positive charged surface: 339.321  Negative charged surface: 98.3975  Volume: 191.875
  Hydrophobic surface: 324.625  Hydrophilic surface: 113.093
 
 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.