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AURORAFEINCHEMIE-ZINC06665439

 MMsINC code: MMs00477835
Type: Neutral
Formula: C12H10F3NO3
SMILES:   FC(F)(F)C1=CC(=O)Nc2c1cc(OC)c(OC)c2
InChI:   InChI=1/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-5H,1-2H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.5501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.21 g/mol  logS: -3.40853  SlogP: 3.0215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309552  Sterimol/B1: 2.36722  Sterimol/B2: 2.6339  Sterimol/B3: 2.64331
  Sterimol/B4: 8.93839  Sterimol/L: 12.5306 
 
 Surface and Volume Properties
  Accessible surface: 438.668  Positive charged surface: 258.487  Negative charged surface: 180.18  Volume: 216.625
  Hydrophobic surface: 258.141  Hydrophilic surface: 180.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.