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CHEMDIV-ZINC02457258

 MMsINC code: MMs00876317
Type: Neutral
Formula: C24H18FN3O3
SMILES:   Fc1cc(Nc2c3c4c(noc4-c4c(cccc4)C3=O)c(N3CCOCC3)c2)ccc1
InChI:   InChI=1/C24H18FN3O3/c25-14-4-3-5-15(12-14)26-18-13-19(28-8-10-30-11-9-28)22-21-20(18)23(29)16-6-1-2-7-17(16)24(21)31-27-22/h1-7,12-13,26H,8-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=235.644 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.424 g/mol  logS: -6.83459  SlogP: 4.7585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662951  Sterimol/B1: 3.34564  Sterimol/B2: 3.82338  Sterimol/B3: 4.77608
  Sterimol/B4: 7.27983  Sterimol/L: 15.4067 
 
 Surface and Volume Properties
  Accessible surface: 615.482  Positive charged surface: 371.124  Negative charged surface: 239.426  Volume: 365.375
  Hydrophobic surface: 523.03  Hydrophilic surface: 92.452
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.