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NCID-ZINC04783224

 MMsINC code: MMs02405692
Type: Ionized
Formula: C16H24O5-2
SMILES:   O=C(CCCC(=O)[O-])C1CCC(CC1)CCCCC(=O)[O-]
InChI:   InChI=1/C16H26O5/c17-14(5-3-7-16(20)21)13-10-8-12(9-11-13)4-1-2-6-15(18)19/h12-13H,1-11H2,(H,18,19)(H,20,21)/p-2/t12-,13-

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Potential Energy
Epot(MMFF94)=22.6564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.363 g/mol  logS: -3.24329  SlogP: 0.5924  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0325086  Sterimol/B1: 2.42278  Sterimol/B2: 2.68248  Sterimol/B3: 3.51326
  Sterimol/B4: 5.72574  Sterimol/L: 20.538 
 
 Surface and Volume Properties
  Accessible surface: 582.177  Positive charged surface: 379.828  Negative charged surface: 202.348  Volume: 294.125
  Hydrophobic surface: 359.029  Hydrophilic surface: 223.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs02405691
NCID-ZINC04783224