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PUBCHEM-ZINC05188822

 MMsINC code: MMs03221879
Type: Neutral
Formula: C21H36O4
SMILES:   O(C(=O)CCCCCCCC(OC1CCCCC1)=O)C1CCCCC1
InChI:   InChI=1/C21H36O4/c22-20(24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)25-19-14-8-5-9-15-19/h18-19H,1-17H2

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Potential Energy
Epot(MMFF94)=20.2205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.515 g/mol  logS: -5.0622  SlogP: 5.4689  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0158185  Sterimol/B1: 3.20853  Sterimol/B2: 3.30127  Sterimol/B3: 3.36295
  Sterimol/B4: 4.38207  Sterimol/L: 24.9078 
 
 Surface and Volume Properties
  Accessible surface: 728.333  Positive charged surface: 572.969  Negative charged surface: 155.364  Volume: 376.25
  Hydrophobic surface: 665.027  Hydrophilic surface: 63.306
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.