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ALFAAESAR-ZINC05113062

 MMsINC code: MMs00025214
Type: Ionized
Formula: C15H26O4-2
SMILES:   O=C([O-])CCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.40711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -4.90748  SlogP: 1.5575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146551  Sterimol/B1: 2.13704  Sterimol/B2: 2.36961  Sterimol/B3: 2.37342
  Sterimol/B4: 3.8524  Sterimol/L: 23.4782 
 
 Surface and Volume Properties
  Accessible surface: 604  Positive charged surface: 420.259  Negative charged surface: 183.741  Volume: 282.25
  Hydrophobic surface: 409.988  Hydrophilic surface: 194.012
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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Parent related molecule:


MMs00025213
ALFAAESAR-ZINC05113062