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ENAMINE-ZINC03888462

 MMsINC code: MMs01529500
Type: Neutral
Formula: C11H9F3O2
SMILES:   FC(F)(F)C(=O)\C=C(/O)\c1ccccc1C
InChI:   InChI=1/C11H9F3O2/c1-7-4-2-3-5-8(7)9(15)6-10(16)11(12,13)14/h2-6,15H,1H3/b9-6-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.185 g/mol  logS: -3.4266  SlogP: 3.44522  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0847026  Sterimol/B1: 2.05046  Sterimol/B2: 3.16687  Sterimol/B3: 3.66005
  Sterimol/B4: 6.60273  Sterimol/L: 12.6628 
 
 Surface and Volume Properties
  Accessible surface: 402.651  Positive charged surface: 167.797  Negative charged surface: 234.853  Volume: 190.125
  Hydrophobic surface: 236.532  Hydrophilic surface: 166.119
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01529502
ENAMINE-ZINC03888462


MMs01529503
ENAMINE-ZINC03888462


MMs01529501
ENAMINE-ZINC03888462


MMs01529504
ENAMINE-ZINC03888462