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PUBCHEM-ZINC06344745

 MMsINC code: MMs03678300
Type: Neutral
Formula: C23H16N2O3
SMILES:   OC(=O)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1
InChI:   InChI=1/C23H16N2O3/c26-22(24-17-12-10-16(11-13-17)23(27)28)19-14-21(15-6-2-1-3-7-15)25-20-9-5-4-8-18(19)20/h1-14H,(H,24,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.392 g/mol  logS: -6.30799  SlogP: 4.8523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132525  Sterimol/B1: 2.6212  Sterimol/B2: 2.63312  Sterimol/B3: 3.03004
  Sterimol/B4: 10.5747  Sterimol/L: 18.5405 
 
 Surface and Volume Properties
  Accessible surface: 630.512  Positive charged surface: 325.823  Negative charged surface: 293.875  Volume: 344.125
  Hydrophobic surface: 486.716  Hydrophilic surface: 143.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03678301
PUBCHEM-ZINC06344745