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ENAMINE-ZINC06566790

 MMsINC code: MMs01675748
Type: Neutral
Formula: C20H15F3N2O2
SMILES:   FC(F)(F)c1cc(N2C(=O)/C(/c3c(cccc3)C2=O)=C/NC2CC2)ccc1
InChI:   InChI=1/C20H15F3N2O2/c21-20(22,23)12-4-3-5-14(10-12)25-18(26)16-7-2-1-6-15(16)17(19(25)27)11-24-13-8-9-13/h1-7,10-11,13,24H,8-9H2/b17-11-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.346 g/mol  logS: -5.41662  SlogP: 4.2968  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11413  Sterimol/B1: 3.31595  Sterimol/B2: 3.65181  Sterimol/B3: 4.6835
  Sterimol/B4: 9.94436  Sterimol/L: 14.139 
 
 Surface and Volume Properties
  Accessible surface: 600.183  Positive charged surface: 280.329  Negative charged surface: 319.854  Volume: 322
  Hydrophobic surface: 402.217  Hydrophilic surface: 197.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01675749
ENAMINE-ZINC06566790