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SPECS-ZINC04100991

 MMsINC code: MMs03936845
Type: Ionized
Formula: C16H28O4-2
SMILES:   O=C([O-])C(CCCCCCCCCCC(C(=O)[O-])C)C
InChI:   InChI=1/C16H30O4/c1-13(15(17)18)11-9-7-5-3-4-6-8-10-12-14(2)16(19)20/h13-14H,3-12H2,1-2H3,(H,17,18)(H,19,20)/p-2/t13-,14+

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Potential Energy
Epot(MMFF94)=20.429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -4.7958  SlogP: 1.6594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0204252  Sterimol/B1: 2.33323  Sterimol/B2: 2.5652  Sterimol/B3: 3.34067
  Sterimol/B4: 4.84764  Sterimol/L: 21.8519 
 
 Surface and Volume Properties
  Accessible surface: 614.058  Positive charged surface: 416.525  Negative charged surface: 197.533  Volume: 306.625
  Hydrophobic surface: 411.275  Hydrophilic surface: 202.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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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MMs03936844
SPECS-ZINC04100991