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CHEMDIV-ZINC00173710

 MMsINC code: MMs00835552
Type: Neutral
Formula: C8H16O4
SMILES:   O1CC(OCC1(OC)C)(OC)C
InChI:   InChI=1/C8H16O4/c1-7(9-3)5-12-8(2,10-4)6-11-7/h5-6H2,1-4H3/t7-,8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.7682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.212 g/mol  logS: -1.07628  SlogP: 0.7584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167887  Sterimol/B1: 2.49515  Sterimol/B2: 2.74704  Sterimol/B3: 4.41857
  Sterimol/B4: 4.77248  Sterimol/L: 11.0342 
 
 Surface and Volume Properties
  Accessible surface: 363.173  Positive charged surface: 301.978  Negative charged surface: 61.1958  Volume: 174.75
  Hydrophobic surface: 301.727  Hydrophilic surface: 61.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.