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ALFAAESAR-ZINC01556517

 MMsINC code: MMs00021287
Type: Neutral
Formula: C10H18O4
SMILES:   O(C(=O)CCC(OCCC)=O)CCC
InChI:   InChI=1/C10H18O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.76198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.22868  SlogP: 1.673  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0176966  Sterimol/B1: 2.37505  Sterimol/B2: 2.37578  Sterimol/B3: 3.01705
  Sterimol/B4: 3.33822  Sterimol/L: 18.2098 
 
 Surface and Volume Properties
  Accessible surface: 477.275  Positive charged surface: 351.885  Negative charged surface: 125.39  Volume: 208.125
  Hydrophobic surface: 352.008  Hydrophilic surface: 125.267
 
 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.