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ASINEX-ZINC04170985

 MMsINC code: MMs00314955
Type: Neutral
Formula: C25H20FNO4
SMILES:   Fc1ccccc1C1N(CCc2ccc(O)cc2)C(=O)C(=O)C1C(=O)c1ccccc1
InChI:   InChI=1/C25H20FNO4/c26-20-9-5-4-8-19(20)22-21(23(29)17-6-2-1-3-7-17)24(30)25(31)27(22)15-14-16-10-12-18(28)13-11-16/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)=88.907 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: 0.103347  Sterimol/B1: 2.84559  Sterimol/B2: 3.51341  Sterimol/B3: 4.98939
  Sterimol/B4: 8.33819  Sterimol/L: 19.2187 
 
 Surface and Volume Properties
  Accessible surface: 685.712  Positive charged surface: 346.449  Negative charged surface: 339.262  Volume: 388
  Hydrophobic surface: 540.931  Hydrophilic surface: 144.781
 
 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


MMs00314958
ASINEX-ZINC04170985


MMs00314956
ASINEX-ZINC04170985


MMs00314957
ASINEX-ZINC04170985