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ASINEX-ZINC00784699

 MMsINC code: MMs00163267
Type: Neutral
Formula: C24H14F3N3O3
SMILES:   FC(F)(F)c1cc(N2C(=Nc3c(cccc3)C2=O)CN2C(=O)c3c(cccc3)C2=O)ccc
1
InChI:   InChI=1/C24H14F3N3O3/c25-24(26,27)14-6-5-7-15(12-14)30-20(28-19-11-4-3-10-18(19)23(30)33)13-29-21(31)16-8-1-2-9-17(16)22(29)32/h1-12H,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.388 g/mol  logS: -7.31006  SlogP: 5.0035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136521  Sterimol/B1: 2.53775  Sterimol/B2: 3.62049  Sterimol/B3: 4.7495
  Sterimol/B4: 10.1952  Sterimol/L: 15.755 
 
 Surface and Volume Properties
  Accessible surface: 661.198  Positive charged surface: 292.092  Negative charged surface: 369.106  Volume: 375.25
  Hydrophobic surface: 447.052  Hydrophilic surface: 214.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.