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ANALYTICONDISCOVERY-ZINC04270754

 MMsINC code: MMs00035109
Type: Neutral
Formula: C16H26N2O5
SMILES:   O(C(=O)C1N(CCN(C1)C(=O)COC)C(=O)C1CCCCC1)C
InChI:   InChI=1/C16H26N2O5/c1-22-11-14(19)17-8-9-18(13(10-17)16(21)23-2)15(20)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=119.074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.393 g/mol  logS: -2.27787  SlogP: 0.4255  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625927  Sterimol/B1: 2.74386  Sterimol/B2: 3.3554  Sterimol/B3: 3.69993
  Sterimol/B4: 8.95866  Sterimol/L: 16.3194 
 
 Surface and Volume Properties
  Accessible surface: 577.477  Positive charged surface: 478.665  Negative charged surface: 98.8122  Volume: 313
  Hydrophobic surface: 493.564  Hydrophilic surface: 83.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.