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PUBCHEM-ZINC05511803

 MMsINC code: MMs03292416
Type: Neutral
Formula: C24H44O4
SMILES:   O1C(CC2OC2CCCCC)C1CCCCCCCC(OCCCCCC)=O
InChI:   InChI=1/C24H44O4/c1-3-5-7-14-18-26-24(25)17-13-10-8-9-12-16-21-23(28-21)19-22-20(27-22)15-11-6-4-2/h20-23H,3-19H2,1-2H3/t20-,21-,22+,23-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.6282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.612 g/mol  logS: -6.96561  SlogP: 6.3458  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00860882  Sterimol/B1: 2.57086  Sterimol/B2: 3.71559  Sterimol/B3: 4.86187
  Sterimol/B4: 5.76768  Sterimol/L: 31.2567 
 
 Surface and Volume Properties
  Accessible surface: 875.724  Positive charged surface: 669.694  Negative charged surface: 206.03  Volume: 450.25
  Hydrophobic surface: 746.062  Hydrophilic surface: 129.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.