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ALFAAESAR-ZINC01689486

 MMsINC code: MMs00021867
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(=O)CCCCCCCC(OC)=O)C
InChI:   InChI=1/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -2.11992  SlogP: 2.0631  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0187004  Sterimol/B1: 2.37503  Sterimol/B2: 2.3757  Sterimol/B3: 2.61152
  Sterimol/B4: 3.32242  Sterimol/L: 19.4889 
 
 Surface and Volume Properties
  Accessible surface: 502.627  Positive charged surface: 412.438  Negative charged surface: 90.189  Volume: 227.375
  Hydrophobic surface: 415.651  Hydrophilic surface: 86.976
 
 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.