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PUBCHEM-ZINC02954670

 MMsINC code: MMs02966216
Type: Neutral
Formula: C23H18N2O4
SMILES:   OC(=O)c1ccc(NC(=O)/C(/NC(=O)c2ccccc2)=C/c2ccccc2)cc1
InChI:   InChI=1/C23H18N2O4/c26-21(17-9-5-2-6-10-17)25-20(15-16-7-3-1-4-8-16)22(27)24-19-13-11-18(12-14-19)23(28)29/h1-15H,(H,24,27)(H,25,26)(H,28,29)/b20-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.407 g/mol  logS: -5.83611  SlogP: 3.7944  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369194  Sterimol/B1: 3.11206  Sterimol/B2: 3.27424  Sterimol/B3: 3.33232
  Sterimol/B4: 9.94125  Sterimol/L: 17.9865 
 
 Surface and Volume Properties
  Accessible surface: 647.686  Positive charged surface: 341.213  Negative charged surface: 306.473  Volume: 364
  Hydrophobic surface: 489.822  Hydrophilic surface: 157.864
 
 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


MMs02966217
PUBCHEM-ZINC02954670