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NCID-ZINC01668614

 MMsINC code: MMs02304705
Type: Ionized
Formula: C14H22O4-2
SMILES:   O=C([O-])C(CCCCCCCCCC=C)C(=O)[O-]
InChI:   InChI=1/C14H24O4/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18/h2,12H,1,3-11H2,(H,15,16)(H,17,18)/p-2

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Potential Energy
Epot(MMFF94)=13.4991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.326 g/mol  logS: -4.98641  SlogP: 0.7993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028851  Sterimol/B1: 3.13364  Sterimol/B2: 3.42549  Sterimol/B3: 3.77661
  Sterimol/B4: 4.15806  Sterimol/L: 20.0577 
 
 Surface and Volume Properties
  Accessible surface: 558.909  Positive charged surface: 345.543  Negative charged surface: 213.366  Volume: 264.625
  Hydrophobic surface: 349.247  Hydrophilic surface: 209.662
 
 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:


MMs02304704
NCID-ZINC01668614