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IBS-ZINC04863091

 MMsINC code: MMs01902665
Type: Neutral
Formula: C16H28O6
SMILES:   O1CCOCCOCCOC(=O)CCCCCCCCC1=O
InChI:   InChI=1/C16H28O6/c17-15-7-5-3-1-2-4-6-8-16(18)22-14-12-20-10-9-19-11-13-21-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.8492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.394 g/mol  logS: -3.06926  SlogP: 2.2404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081238  Sterimol/B1: 2.64954  Sterimol/B2: 3.57325  Sterimol/B3: 5.40024
  Sterimol/B4: 6.8807  Sterimol/L: 13.0886 
 
 Surface and Volume Properties
  Accessible surface: 591.701  Positive charged surface: 482.158  Negative charged surface: 109.544  Volume: 318.375
  Hydrophobic surface: 503.364  Hydrophilic surface: 88.337
 
 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.