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IBS-ZINC01479814

 MMsINC code: MMs01770952
Type: Neutral
Formula: C24H19FN2O4
SMILES:   Fc1ccc(cc1)C1N(Cc2cccnc2)C(=O)C(=O)C1C(=O)c1cc(OC)ccc1
InChI:   InChI=1/C24H19FN2O4/c1-31-19-6-2-5-17(12-19)22(28)20-21(16-7-9-18(25)10-8-16)27(24(30)23(20)29)14-15-4-3-11-26-13-15/h2-13,20-21H,14H2,1H3/t20-,21+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.1111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.424 g/mol  logS: -4.61606  SlogP: 3.7429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143388  Sterimol/B1: 3.72771  Sterimol/B2: 4.95918  Sterimol/B3: 5.74045
  Sterimol/B4: 8.73086  Sterimol/L: 15.6847 
 
 Surface and Volume Properties
  Accessible surface: 660.701  Positive charged surface: 386.539  Negative charged surface: 274.162  Volume: 382.75
  Hydrophobic surface: 539.434  Hydrophilic surface: 121.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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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Ions/Tautomers related molecules


MMs01770955
IBS-ZINC01479814


MMs01770953
IBS-ZINC01479814


MMs01770954
IBS-ZINC01479814