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APOLLO-ZINC04276923

 MMsINC code: MMs00057441
Type: Ionized
Formula: C15H25O3-
SMILES:   O=C1CCCCCCCCCCC1CCC(=O)[O-]
InChI:   InChI=1/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13(14)11-12-15(17)18/h13H,1-12H2,(H,17,18)/p-1/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=30.9512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.362 g/mol  logS: -4.05919  SlogP: 2.6164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120575  Sterimol/B1: 3.43617  Sterimol/B2: 3.74349  Sterimol/B3: 4.29714
  Sterimol/B4: 6.08124  Sterimol/L: 13.9979 
 
 Surface and Volume Properties
  Accessible surface: 480.316  Positive charged surface: 333.887  Negative charged surface: 146.429  Volume: 271.25
  Hydrophobic surface: 357.349  Hydrophilic surface: 122.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00057440
APOLLO-ZINC04276923