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ASINEX-ZINC00864502

 MMsINC code: MMs00199068
Type: Neutral
Formula: C26H23FN2O3
SMILES:   Fc1ccc(cc1)C(=O)C=1C(N(Cc2cccnc2)C(=O)C=1O)c1ccc(cc1)C(C)C
InChI:   InChI=1/C26H23FN2O3/c1-16(2)18-5-7-19(8-6-18)23-22(24(30)20-9-11-21(27)12-10-20)25(31)26(32)29(23)15-17-4-3-13-28-14-17/h3-14,16,23,31H,15H2,1-2H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.479 g/mol  logS: -6.1717  SlogP: 5.4845  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.143367  Sterimol/B1: 2.26585  Sterimol/B2: 3.34818  Sterimol/B3: 4.93062
  Sterimol/B4: 9.66172  Sterimol/L: 15.6348 
 
 Surface and Volume Properties
  Accessible surface: 651.788  Positive charged surface: 395.017  Negative charged surface: 256.772  Volume: 408.375
  Hydrophobic surface: 500.043  Hydrophilic surface: 151.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00199070
ASINEX-ZINC00864502


MMs00199071
ASINEX-ZINC00864502


MMs00199069
ASINEX-ZINC00864502