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NCID-ZINC04684073

 MMsINC code: MMs02393322
Type: Neutral
Formula: C19H34O4
SMILES:   O1CCCC1CCC(OC(=O)CCCCC)CCC1OCCC1
InChI:   InChI=1/C19H34O4/c1-2-3-4-9-19(20)23-18(12-10-16-7-5-14-21-16)13-11-17-8-6-15-22-17/h16-18H,2-15H2,1H3/t16-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=41.9542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.477 g/mol  logS: -3.95062  SlogP: 4.3969  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555589  Sterimol/B1: 2.29047  Sterimol/B2: 3.41528  Sterimol/B3: 3.62274
  Sterimol/B4: 13.2588  Sterimol/L: 16.28 
 
 Surface and Volume Properties
  Accessible surface: 678.332  Positive charged surface: 560.919  Negative charged surface: 117.413  Volume: 353.125
  Hydrophobic surface: 619.949  Hydrophilic surface: 58.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.