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NCID-ZINC01649929

 MMsINC code: MMs02289765
Type: Ionized
Formula: C14H22FO2-
SMILES:   FC(CCCCCCCCC#CCC)C(=O)[O-]
InChI:   InChI=1/C14H23FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13H,2,5-12H2,1H3,(H,16,17)/p-1/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=21.7647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.326 g/mol  logS: -5.1098  SlogP: 3.02851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169769  Sterimol/B1: 2.37686  Sterimol/B2: 2.65186  Sterimol/B3: 3.26063
  Sterimol/B4: 3.64407  Sterimol/L: 21.4113 
 
 Surface and Volume Properties
  Accessible surface: 567.081  Positive charged surface: 394.404  Negative charged surface: 172.678  Volume: 259.375
  Hydrophobic surface: 395.498  Hydrophilic surface: 171.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs02289764
NCID-ZINC01649929