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NCID-ZINC04430147

 MMsINC code: MMs02388069
Type: Neutral
Formula: C20H34O6
SMILES:   O1CCCC1COC(=O)CCCCCCCCC(OCC1OCCC1)=O
InChI:   InChI=1/C20H34O6/c21-19(25-15-17-9-7-13-23-17)11-5-3-1-2-4-6-12-20(22)26-16-18-10-8-14-24-18/h17-18H,1-16H2/t17-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=48.7035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.486 g/mol  logS: -4.02518  SlogP: 3.5516  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0130901  Sterimol/B1: 3.10939  Sterimol/B2: 3.19511  Sterimol/B3: 3.64569
  Sterimol/B4: 3.74601  Sterimol/L: 27.7697 
 
 Surface and Volume Properties
  Accessible surface: 761.037  Positive charged surface: 620.113  Negative charged surface: 140.924  Volume: 380.125
  Hydrophobic surface: 658.217  Hydrophilic surface: 102.82
 
 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.