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ASINEX-ZINC04024200

 MMsINC code: MMs00297151
Type: Neutral
Formula: C16H28O5
SMILES:   O1CCOCCOC(=O)CCCCCCCCCCC1=O
InChI:   InChI=1/C16H28O5/c17-15-9-7-5-3-1-2-4-6-8-10-16(18)21-14-12-19-11-13-20-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.395 g/mol  logS: -3.95706  SlogP: 3.004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970617  Sterimol/B1: 2.61398  Sterimol/B2: 3.67822  Sterimol/B3: 6.15817
  Sterimol/B4: 6.82091  Sterimol/L: 12.4534 
 
 Surface and Volume Properties
  Accessible surface: 559  Positive charged surface: 440.803  Negative charged surface: 118.197  Volume: 307.875
  Hydrophobic surface: 479.108  Hydrophilic surface: 79.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.