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NCID-ZINC04684100

 MMsINC code: MMs02393327
Type: Neutral
Formula: C20H34O6
SMILES:   O1CCCC1CCCOC(=O)CCCCC(OCCCC1OCCC1)=O
InChI:   InChI=1/C20H34O6/c21-19(25-15-5-9-17-7-3-13-23-17)11-1-2-12-20(22)26-16-6-10-18-8-4-14-24-18/h17-18H,1-16H2/t17-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=39.7931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.486 g/mol  logS: -2.77138  SlogP: 3.5516  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0125971  Sterimol/B1: 3.10023  Sterimol/B2: 3.26502  Sterimol/B3: 3.64697
  Sterimol/B4: 3.70918  Sterimol/L: 27.7695 
 
 Surface and Volume Properties
  Accessible surface: 758.162  Positive charged surface: 622.206  Negative charged surface: 135.956  Volume: 381.125
  Hydrophobic surface: 661.399  Hydrophilic surface: 96.763
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.