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ACROSORGANICS-ZINC01690436

 MMsINC code: MMs00011071
Type: Neutral
Formula: C6H14O4
SMILES:   O(CCOCCO)CCO
InChI:   InChI=1/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.7482 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.174 g/mol  logS: 0.52926  SlogP: -0.9958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10627  Sterimol/B1: 2.36143  Sterimol/B2: 3.07146  Sterimol/B3: 3.24683
  Sterimol/B4: 4.87503  Sterimol/L: 11.7261 
 
 Surface and Volume Properties
  Accessible surface: 388.402  Positive charged surface: 340.077  Negative charged surface: 48.3253  Volume: 150.5
  Hydrophobic surface: 274.083  Hydrophilic surface: 114.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.