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PUBCHEM-ZINC02143003

 MMsINC code: MMs02876337
Type: Neutral
Formula: C24H22FN3O2
SMILES:   Fc1ccccc1CN1C(=O)/C(/NC1=O)=C/c1cc(n(Cc2ccccc2)c1C)C
InChI:   InChI=1/C24H22FN3O2/c1-16-12-20(17(2)27(16)14-18-8-4-3-5-9-18)13-22-23(29)28(24(30)26-22)15-19-10-6-7-11-21(19)25/h3-13H,14-15H2,1-2H3,(H,26,30)/b22-13-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.457 g/mol  logS: -5.16855  SlogP: 4.91804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123594  Sterimol/B1: 2.41373  Sterimol/B2: 3.32181  Sterimol/B3: 6.32983
  Sterimol/B4: 7.91942  Sterimol/L: 16.5532 
 
 Surface and Volume Properties
  Accessible surface: 667.327  Positive charged surface: 373.337  Negative charged surface: 293.99  Volume: 387.5
  Hydrophobic surface: 554.237  Hydrophilic surface: 113.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.