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CHEMDIV-ZINC04970346

 MMsINC code: MMs00975731
Type: Neutral
Formula: C24H17F2N3O
SMILES:   Fc1ccc(-n2nc(c3c2c2cc(F)ccc2nc3)-c2ccc(OCC)cc2)cc1
InChI:   InChI=1/C24H17F2N3O/c1-2-30-19-10-3-15(4-11-19)23-21-14-27-22-12-7-17(26)13-20(22)24(21)29(28-23)18-8-5-16(25)6-9-18/h3-14H,2H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.416 g/mol  logS: -7.33674  SlogP: 5.9176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266378  Sterimol/B1: 3.13919  Sterimol/B2: 3.26381  Sterimol/B3: 5.71318
  Sterimol/B4: 6.4653  Sterimol/L: 18.1479 
 
 Surface and Volume Properties
  Accessible surface: 645.945  Positive charged surface: 350.293  Negative charged surface: 285.76  Volume: 366.375
  Hydrophobic surface: 578.472  Hydrophilic surface: 67.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.