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ACROSORGANICS-ZINC03861298

 MMsINC code: MMs00015826
Type: Ionized
Formula: C16H28O4-2
SMILES:   O=C([O-])CCCCCCCCCCCCCCC(=O)[O-]
InChI:   InChI=1/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)/p-2

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Potential Energy
Epot(MMFF94)=6.22152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -5.4227  SlogP: 1.9476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013039  Sterimol/B1: 2.36769  Sterimol/B2: 2.37888  Sterimol/B3: 2.94305
  Sterimol/B4: 3.82122  Sterimol/L: 24.7387 
 
 Surface and Volume Properties
  Accessible surface: 627.425  Positive charged surface: 440.678  Negative charged surface: 186.747  Volume: 307.5
  Hydrophobic surface: 434.041  Hydrophilic surface: 193.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs00015825
ACROSORGANICS-ZINC03861298