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PUBCHEM-ZINC05410385

 MMsINC code: MMs03260261
Type: Neutral
Formula: C16H29F3O2
SMILES:   FC(F)(CCCCCCCCCCF)CCCCC(O)=O
InChI:   InChI=1/C16H29F3O2/c17-14-10-6-4-2-1-3-5-8-12-16(18,19)13-9-7-11-15(20)21/h1-14H2,(H,20,21)

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Potential Energy
Epot(MMFF94)=7.57578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.4 g/mol  logS: -4.48382  SlogP: 6.167  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0133847  Sterimol/B1: 2.63755  Sterimol/B2: 2.63859  Sterimol/B3: 2.80194
  Sterimol/B4: 3.25527  Sterimol/L: 24.6435 
 
 Surface and Volume Properties
  Accessible surface: 631.204  Positive charged surface: 447.726  Negative charged surface: 183.478  Volume: 313.375
  Hydrophobic surface: 448.305  Hydrophilic surface: 182.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03260262
PUBCHEM-ZINC05410385