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ASINEX-ZINC01413219

 MMsINC code: MMs00253722
Type: Neutral
Formula: C25H20FNO4
SMILES:   Fc1ccc(cc1)C1N(CCc2ccc(O)cc2)C(=O)C(=O)C1C(=O)c1ccccc1
InChI:   InChI=1/C25H20FNO4/c26-19-10-8-17(9-11-19)22-21(23(29)18-4-2-1-3-5-18)24(30)25(31)27(22)15-14-16-6-12-20(28)13-7-16/h1-13,21-22,28H,14-15H2/t21-,22+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.8151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.436 g/mol  logS: -5.52334  SlogP: 3.82097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108935  Sterimol/B1: 2.87932  Sterimol/B2: 3.20706  Sterimol/B3: 5.26462
  Sterimol/B4: 8.45986  Sterimol/L: 19.1716 
 
 Surface and Volume Properties
  Accessible surface: 684.469  Positive charged surface: 339.343  Negative charged surface: 345.126  Volume: 385.625
  Hydrophobic surface: 538.945  Hydrophilic surface: 145.524
 
 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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Ions/Tautomers related molecules


MMs00253724
ASINEX-ZINC01413219


MMs00253725
ASINEX-ZINC01413219


MMs00253723
ASINEX-ZINC01413219