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ENAMINE-ZINC03220595

 MMsINC code: MMs01313112
Type: Neutral
Formula: C23H15F3N2O2
SMILES:   FC(F)(F)c1ccc(N\C=C\2/c3c(cccc3)C(=O)N(C/2=O)c2ccccc2)cc1
InChI:   InChI=1/C23H15F3N2O2/c24-23(25,26)15-10-12-16(13-11-15)27-14-20-18-8-4-5-9-19(18)21(29)28(22(20)30)17-6-2-1-3-7-17/h1-14,27H/b20-14-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.379 g/mol  logS: -6.6881  SlogP: 5.6569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327584  Sterimol/B1: 2.38054  Sterimol/B2: 3.42268  Sterimol/B3: 3.50906
  Sterimol/B4: 10.7443  Sterimol/L: 16.2753 
 
 Surface and Volume Properties
  Accessible surface: 635.274  Positive charged surface: 270.992  Negative charged surface: 364.282  Volume: 352.75
  Hydrophobic surface: 475.727  Hydrophilic surface: 159.547
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01313113
ENAMINE-ZINC03220595