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PUBCHEM-ZINC05820159

 MMsINC code: MMs03399177
Type: Neutral
Formula: C24H40O4
SMILES:   O1C(=O)C(CCCC)=C(O)C(CCCC)=C1C(C(=O)CCCCC)CCCC
InChI:   InChI=1/C24H40O4/c1-5-9-13-17-21(25)18(14-10-6-2)23-19(15-11-7-3)22(26)20(16-12-8-4)24(27)28-23/h18,26H,5-17H2,1-4H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=49.0488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.58 g/mol  logS: -8.05974  SlogP: 6.9456  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.290987  Sterimol/B1: 2.16832  Sterimol/B2: 3.86283  Sterimol/B3: 7.84892
  Sterimol/B4: 12.268  Sterimol/L: 16.8103 
 
 Surface and Volume Properties
  Accessible surface: 772.568  Positive charged surface: 561.947  Negative charged surface: 210.622  Volume: 429.75
  Hydrophobic surface: 589.811  Hydrophilic surface: 182.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.