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CHEMBRIDGE-ZINC03204922

 MMsINC code: MMs00752816
Type: Neutral
Formula: C20H16N2O3
SMILES:   OC(=O)c1ccccc1NC(=O)c1ccccc1Nc1ccccc1
InChI:   InChI=1/C20H16N2O3/c23-19(22-18-13-7-5-11-16(18)20(24)25)15-10-4-6-12-17(15)21-14-8-2-1-3-9-14/h1-13,21H,(H,22,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.359 g/mol  logS: -4.94459  SlogP: 4.3807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204681  Sterimol/B1: 2.79339  Sterimol/B2: 2.84678  Sterimol/B3: 5.76766
  Sterimol/B4: 9.49841  Sterimol/L: 12.9096 
 
 Surface and Volume Properties
  Accessible surface: 569.342  Positive charged surface: 327.931  Negative charged surface: 241.411  Volume: 313.375
  Hydrophobic surface: 455.823  Hydrophilic surface: 113.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00752817
CHEMBRIDGE-ZINC03204922