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APOLLO-ZINC00085767

MMsINC code: MMs00042512

Type: Neutral
Formula: C15H10F6O
SMILES:   FC(F)(F)c1cc(ccc1)C(O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C15H10F6O/c16-14(17,18)11-5-1-3-9(7-11)13(22)10-4-2-6-12(8-10)15(19,20)21/h1-8,13,22H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=85.1294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.232 g/mol  logS: -5.0369  SlogP: 5.5244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136623  Sterimol/B1: 2.12551  Sterimol/B2: 2.58976  Sterimol/B3: 4.82375
  Sterimol/B4: 6.10835  Sterimol/L: 12.5585 
 
 Surface and Volume Properties
  Accessible surface: 479.901  Positive charged surface: 144.368  Negative charged surface: 335.533  Volume: 248.125
  Hydrophobic surface: 235.438  Hydrophilic surface: 244.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.