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ENAMINE-ZINC02648859

 MMsINC code: MMs01273985
Type: Neutral
Formula: C17H15F3N2O3
SMILES:   FC(F)(F)c1cc(Nc2oc3c(n2)cccc3)c(OCCOC)cc1
InChI:   InChI=1/C17H15F3N2O3/c1-23-8-9-24-14-7-6-11(17(18,19)20)10-13(14)22-16-21-12-4-2-3-5-15(12)25-16/h2-7,10H,8-9H2,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.8558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.312 g/mol  logS: -5.48652  SlogP: 4.9269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0206185  Sterimol/B1: 2.48794  Sterimol/B2: 2.50599  Sterimol/B3: 3.47734
  Sterimol/B4: 9.81309  Sterimol/L: 16.5068 
 
 Surface and Volume Properties
  Accessible surface: 588.255  Positive charged surface: 346.671  Negative charged surface: 241.584  Volume: 297.625
  Hydrophobic surface: 415.913  Hydrophilic surface: 172.342
 
 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.