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NCID-ZINC05600265

 MMsINC code: MMs02478905
Type: Neutral
Formula: C23H40O6
SMILES:   O1CCCC1CCCOC(=O)CCCCCCCC(OCCCC1OCCC1)=O
InChI:   InChI=1/C23H40O6/c24-22(28-18-8-12-20-10-6-16-26-20)14-4-2-1-3-5-15-23(25)29-19-9-13-21-11-7-17-27-21/h20-21H,1-19H2/t20-,21+

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Potential Energy
Epot(MMFF94)=39.545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.567 g/mol  logS: -4.31704  SlogP: 4.7219  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00788847  Sterimol/B1: 2.52619  Sterimol/B2: 3.24238  Sterimol/B3: 3.46411
  Sterimol/B4: 3.59678  Sterimol/L: 31.5492 
 
 Surface and Volume Properties
  Accessible surface: 859.705  Positive charged surface: 709.018  Negative charged surface: 150.687  Volume: 432.625
  Hydrophobic surface: 762.272  Hydrophilic surface: 97.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.