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CHEMBRIDGE-ZINC04951977

 MMsINC code: MMs00813983
Type: Neutral
Formula: C14H13F5O2
SMILES:   FC(F)(CCCOC(=O)\C=C/c1ccccc1)C(F)(F)F
InChI:   InChI=1/C14H13F5O2/c15-13(16,14(17,18)19)9-4-10-21-12(20)8-7-11-5-2-1-3-6-11/h1-3,5-8H,4,9-10H2/b8-7-

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Potential Energy
Epot(MMFF94)=87.2765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.246 g/mol  logS: -4.4623  SlogP: 5.0606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409473  Sterimol/B1: 2.51271  Sterimol/B2: 3.06307  Sterimol/B3: 3.08307
  Sterimol/B4: 6.80856  Sterimol/L: 16.3227 
 
 Surface and Volume Properties
  Accessible surface: 511.607  Positive charged surface: 231.693  Negative charged surface: 279.915  Volume: 253.5
  Hydrophobic surface: 334.063  Hydrophilic surface: 177.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.