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PUBCHEM-ZINC01852901

 MMsINC code: MMs02826745
Type: Ionized
Formula: C13H19F4O2-
SMILES:   FC1(F)C(CC1(F)F)CCCCCCCCC(=O)[O-]
InChI:   InChI=1/C13H20F4O2/c14-12(15)9-10(13(12,16)17)7-5-3-1-2-4-6-8-11(18)19/h10H,1-9H2,(H,18,19)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=21.3205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.285 g/mol  logS: -4.54201  SlogP: 3.9874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0317693  Sterimol/B1: 2.39498  Sterimol/B2: 2.88851  Sterimol/B3: 3.38417
  Sterimol/B4: 4.61996  Sterimol/L: 18.4711 
 
 Surface and Volume Properties
  Accessible surface: 524.478  Positive charged surface: 247.991  Negative charged surface: 215.66  Volume: 248.5
  Hydrophobic surface: 301.89  Hydrophilic surface: 222.588
 
 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:


MMs02826744
PUBCHEM-ZINC01852901