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PUBCHEM-ZINC00244910

 MMsINC code: MMs02644970
Type: Neutral
Formula: C17H12F2O
SMILES:   F\C(=C(/F)\C(=O)\C=C\c1ccccc1)\c1ccccc1
InChI:   InChI=1/C17H12F2O/c18-16(14-9-5-2-6-10-14)17(19)15(20)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+,17-16+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.0687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.278 g/mol  logS: -5.24781  SlogP: 4.6856  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0139394  Sterimol/B1: 2.58117  Sterimol/B2: 3.04066  Sterimol/B3: 3.21759
  Sterimol/B4: 5.13857  Sterimol/L: 17.0951 
 
 Surface and Volume Properties
  Accessible surface: 513.913  Positive charged surface: 244.32  Negative charged surface: 269.593  Volume: 257.375
  Hydrophobic surface: 480.276  Hydrophilic surface: 33.637
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.