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PUBCHEM-ZINC00988872

 MMsINC code: MMs02750846
Type: Neutral
Formula: C22H18N2O4
SMILES:   OC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C22H18N2O4/c1-14-10-12-15(13-11-14)20(25)23-18-8-4-2-6-16(18)21(26)24-19-9-5-3-7-17(19)22(27)28/h2-13H,1H3,(H,23,25)(H,24,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.396 g/mol  logS: -5.76818  SlogP: 4.19782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021749  Sterimol/B1: 2.44166  Sterimol/B2: 3.40522  Sterimol/B3: 3.7954
  Sterimol/B4: 9.61778  Sterimol/L: 17.3693 
 
 Surface and Volume Properties
  Accessible surface: 634.363  Positive charged surface: 353.906  Negative charged surface: 280.457  Volume: 349.125
  Hydrophobic surface: 504.056  Hydrophilic surface: 130.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02750847
PUBCHEM-ZINC00988872