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PUBCHEM-ZINC02019807

 MMsINC code: MMs02855413
Type: Neutral
Formula: C10H22O4
SMILES:   O(CCCOCCCO)CCCOC
InChI:   InChI=1/C10H22O4/c1-12-6-3-8-14-10-4-9-13-7-2-5-11/h11H,2-10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.282 g/mol  logS: -0.42123  SlogP: 0.8286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171188  Sterimol/B1: 2.37501  Sterimol/B2: 2.37591  Sterimol/B3: 2.60899
  Sterimol/B4: 2.69547  Sterimol/L: 20.1868 
 
 Surface and Volume Properties
  Accessible surface: 514.359  Positive charged surface: 456.001  Negative charged surface: 58.3583  Volume: 223.5
  Hydrophobic surface: 441.013  Hydrophilic surface: 73.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.