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PUBCHEM-ZINC00693051

 MMsINC code: MMs02729448
Type: Neutral
Formula: C23H20N2O4
SMILES:   OC(=O)c1ccccc1NC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1
InChI:   InChI=1/C23H20N2O4/c26-21(14-13-16-7-2-1-3-8-16)24-18-10-6-9-17(15-18)22(27)25-20-12-5-4-11-19(20)23(28)29/h1-12,15H,13-14H2,(H,24,26)(H,25,27)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.423 g/mol  logS: -5.23765  SlogP: 4.20837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240679  Sterimol/B1: 3.39698  Sterimol/B2: 3.88458  Sterimol/B3: 4.37289
  Sterimol/B4: 7.37438  Sterimol/L: 20.7993 
 
 Surface and Volume Properties
  Accessible surface: 681.081  Positive charged surface: 391.986  Negative charged surface: 289.095  Volume: 370.25
  Hydrophobic surface: 525.353  Hydrophilic surface: 155.728
 
 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


MMs02729449
PUBCHEM-ZINC00693051