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NCID-ZINC01649929

 MMsINC code: MMs02289764
Type: Neutral
Formula: C14H23FO2
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)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=11.7982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.334 g/mol  logS: -4.84935  SlogP: 4.36321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0181564  Sterimol/B1: 2.55386  Sterimol/B2: 2.79522  Sterimol/B3: 3.18441
  Sterimol/B4: 3.32887  Sterimol/L: 21.2989 
 
 Surface and Volume Properties
  Accessible surface: 562.972  Positive charged surface: 403.338  Negative charged surface: 159.634  Volume: 262.5
  Hydrophobic surface: 377.762  Hydrophilic surface: 185.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02289765
NCID-ZINC01649929