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PUBCHEM-ZINC00614221

 MMsINC code: MMs02713550
Type: Neutral
Formula: C22H19NO3
SMILES:   OC(=O)Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C22H19NO3/c24-20(25)15-16-11-13-19(14-12-16)23-22(26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,23,26)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.398 g/mol  logS: -5.08967  SlogP: 4.08427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0904021  Sterimol/B1: 2.43449  Sterimol/B2: 3.33918  Sterimol/B3: 4.46913
  Sterimol/B4: 9.12671  Sterimol/L: 16.4334 
 
 Surface and Volume Properties
  Accessible surface: 613.773  Positive charged surface: 355.759  Negative charged surface: 258.014  Volume: 336.625
  Hydrophobic surface: 494.072  Hydrophilic surface: 119.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02713551
PUBCHEM-ZINC00614221