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ALFAAESAR-ZINC04255613

 MMsINC code: MMs00024612
Type: Neutral
Formula: C14H26O4
SMILES:   O(C(=O)CCCCCCCCCCC(OC)=O)C
InChI:   InChI=1/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.2772 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.358 g/mol  logS: -3.66558  SlogP: 3.2334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0134063  Sterimol/B1: 2.37546  Sterimol/B2: 2.37551  Sterimol/B3: 2.75048
  Sterimol/B4: 3.23191  Sterimol/L: 23.2239 
 
 Surface and Volume Properties
  Accessible surface: 598.559  Positive charged surface: 490.674  Negative charged surface: 107.885  Volume: 278.625
  Hydrophobic surface: 511.37  Hydrophilic surface: 87.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.