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PUBCHEM-ZINC05483546

 MMsINC code: MMs03282525
Type: Tautomer
Formula: C23H16FNO4
SMILES:   Fc1ccccc1C\1N(C(=O)C(=O)/C/1=C(\O)/c1ccccc1)c1ccc(O)cc1
InChI:   InChI=1/C23H16FNO4/c24-18-9-5-4-8-17(18)20-19(21(27)14-6-2-1-3-7-14)22(28)23(29)25(20)15-10-12-16(26)13-11-15/h1-13,20,26-27H/b21-19+/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.382 g/mol  logS: -5.61949  SlogP: 4.2531  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118708  Sterimol/B1: 3.95598  Sterimol/B2: 4.08318  Sterimol/B3: 4.32416
  Sterimol/B4: 6.89881  Sterimol/L: 16.9689 
 
 Surface and Volume Properties
  Accessible surface: 593.313  Positive charged surface: 309.958  Negative charged surface: 283.356  Volume: 349.75
  Hydrophobic surface: 455.856  Hydrophilic surface: 137.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs03282522
PUBCHEM-ZINC05483546