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CHEMBLOCK-ZINC01078286

 MMsINC code: MMs00514656
Type: Neutral
Formula: C22H19FN4O
SMILES:   Fc1ccccc1COc1ccc(cc1)-c1nn(nn1)Cc1ccc(cc1)C
InChI:   InChI=1/C22H19FN4O/c1-16-6-8-17(9-7-16)14-27-25-22(24-26-27)18-10-12-20(13-11-18)28-15-19-4-2-3-5-21(19)23/h2-13H,14-15H2,1H3

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Potential Energy
Epot(MMFF94)=99.5012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.419 g/mol  logS: -6.27021  SlogP: 4.94772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0409657  Sterimol/B1: 2.36712  Sterimol/B2: 2.46521  Sterimol/B3: 5.50189
  Sterimol/B4: 7.26132  Sterimol/L: 21.1387 
 
 Surface and Volume Properties
  Accessible surface: 680.006  Positive charged surface: 368.87  Negative charged surface: 311.136  Volume: 357.625
  Hydrophobic surface: 605.983  Hydrophilic surface: 74.023
 
 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: no related molecules available.