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ASINEX-ZINC04026253

 MMsINC code: MMs00297244
Type: Neutral
Formula: C16H28O4
SMILES:   O1CCCCCCOC(=O)CCCCCCCCC1=O
InChI:   InChI=1/C16H28O4/c17-15-11-7-3-1-2-4-8-12-16(18)20-14-10-6-5-9-13-19-15/h1-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.8829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -3.59106  SlogP: 3.7676  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925121  Sterimol/B1: 2.60484  Sterimol/B2: 3.46059  Sterimol/B3: 5.23359
  Sterimol/B4: 6.63145  Sterimol/L: 12.5697 
 
 Surface and Volume Properties
  Accessible surface: 528.029  Positive charged surface: 403.636  Negative charged surface: 124.394  Volume: 300.375
  Hydrophobic surface: 457.699  Hydrophilic surface: 70.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.