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ENAMINE-ZINC02549623

 MMsINC code: MMs01251799
Type: Tautomer
Formula: C10H6F4O2
SMILES:   Fc1ccc(cc1)C(=O)CC(=O)C(F)(F)F
InChI:   InChI=1/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-4H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.5001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.148 g/mol  logS: -3.28103  SlogP: 2.9498  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0216491  Sterimol/B1: 2.53994  Sterimol/B2: 2.63698  Sterimol/B3: 2.64015
  Sterimol/B4: 5.2558  Sterimol/L: 12.7884 
 
 Surface and Volume Properties
  Accessible surface: 386.547  Positive charged surface: 135.04  Negative charged surface: 251.507  Volume: 176.875
  Hydrophobic surface: 217.562  Hydrophilic surface: 168.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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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Parent related molecule:


MMs01251798
ENAMINE-ZINC02549623