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CHEMBRIDGE-ZINC04652604

 MMsINC code: MMs00774527
Type: Neutral
Formula: C19H15F5N2O3
SMILES:   Fc1c(C(=O)N2CCN(CC2)Cc2cc3OCOc3cc2)c(F)c(F)c(F)c1F
InChI:   InChI=1/C19H15F5N2O3/c20-14-13(15(21)17(23)18(24)16(14)22)19(27)26-5-3-25(4-6-26)8-10-1-2-11-12(7-10)29-9-28-11/h1-2,7H,3-6,8-9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.33 g/mol  logS: -4.66965  SlogP: 3.3352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971585  Sterimol/B1: 3.20833  Sterimol/B2: 4.01978  Sterimol/B3: 4.53939
  Sterimol/B4: 6.66745  Sterimol/L: 14.8588 
 
 Surface and Volume Properties
  Accessible surface: 600.383  Positive charged surface: 341.885  Negative charged surface: 258.498  Volume: 328.375
  Hydrophobic surface: 506.081  Hydrophilic surface: 94.302
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00774528
CHEMBRIDGE-ZINC04652604