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CHEMBRIDGE-ZINC04990842

 MMsINC code: MMs00823026
Type: Neutral
Formula: C22H19NO3
SMILES:   OC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C22H19NO3/c24-21(23-19-13-11-18(12-14-19)22(25)26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.398 g/mol  logS: -4.91012  SlogP: 4.5455  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0820653  Sterimol/B1: 2.92436  Sterimol/B2: 3.8506  Sterimol/B3: 4.20249
  Sterimol/B4: 7.96969  Sterimol/L: 17.8655 
 
 Surface and Volume Properties
  Accessible surface: 606.388  Positive charged surface: 348.093  Negative charged surface: 258.295  Volume: 339.375
  Hydrophobic surface: 479.559  Hydrophilic surface: 126.829
 
 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


MMs00823027
CHEMBRIDGE-ZINC04990842