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ALFAAESAR-ZINC01680781

 MMsINC code: MMs00021788
Type: Neutral
Formula: C7H16O4
SMILES:   O(CCOC)COCCOC
InChI:   InChI=1/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.4564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.201 g/mol  logS: 0.1334  SlogP: 0.2699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121295  Sterimol/B1: 2.28087  Sterimol/B2: 2.38983  Sterimol/B3: 3.8214
  Sterimol/B4: 6.35363  Sterimol/L: 11.4772 
 
 Surface and Volume Properties
  Accessible surface: 413.196  Positive charged surface: 390.957  Negative charged surface: 22.2389  Volume: 173.75
  Hydrophobic surface: 373.353  Hydrophilic surface: 39.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.