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IBS-ZINC05351285

 MMsINC code: MMs01943815
Type: Neutral
Formula: C24H19FN2O3
SMILES:   Fc1ccccc1C1N(C(=O)C(Nc2ccccc2)=C1CC(O)=O)c1ccccc1
InChI:   InChI=1/C24H19FN2O3/c25-20-14-8-7-13-18(20)23-19(15-21(28)29)22(26-16-9-3-1-4-10-16)24(30)27(23)17-11-5-2-6-12-17/h1-14,23,26H,15H2,(H,28,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.425 g/mol  logS: -5.74222  SlogP: 4.85  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100573  Sterimol/B1: 3.22916  Sterimol/B2: 4.29637  Sterimol/B3: 5.72325
  Sterimol/B4: 7.7764  Sterimol/L: 15.1861 
 
 Surface and Volume Properties
  Accessible surface: 625.657  Positive charged surface: 351.398  Negative charged surface: 274.259  Volume: 371.75
  Hydrophobic surface: 522.269  Hydrophilic surface: 103.388
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01943816
IBS-ZINC05351285