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ASINEX-ZINC00858687

 MMsINC code: MMs00196418
Type: Tautomer
Formula: C24H18FNO4
SMILES:   Fc1cc(ccc1)C1N(C(=O)C(=O)C1C(=O)c1ccc(cc1)C)c1ccc(O)cc1
InChI:   InChI=1/C24H18FNO4/c1-14-5-7-15(8-6-14)22(28)20-21(16-3-2-4-17(25)13-16)26(24(30)23(20)29)18-9-11-19(27)12-10-18/h2-13,20-21,27H,1H3/t20-,21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.91 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.409 g/mol  logS: -5.99175  SlogP: 4.09132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124867  Sterimol/B1: 3.01946  Sterimol/B2: 4.26585  Sterimol/B3: 6.01504
  Sterimol/B4: 6.62218  Sterimol/L: 16.8589 
 
 Surface and Volume Properties
  Accessible surface: 599.813  Positive charged surface: 320.265  Negative charged surface: 279.549  Volume: 362.75
  Hydrophobic surface: 455.146  Hydrophilic surface: 144.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs00196417
ASINEX-ZINC00858687