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PUBCHEM-ZINC00786534

 MMsINC code: MMs02738213
Type: Neutral
Formula: C24H17NO3
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C24H17NO3/c26-23(25-22-15-7-9-16-8-1-2-10-17(16)22)20-13-5-3-11-18(20)19-12-4-6-14-21(19)24(27)28/h1-15H,(H,25,26)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.404 g/mol  logS: -7.62853  SlogP: 5.4573  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115471  Sterimol/B1: 3.93066  Sterimol/B2: 4.66296  Sterimol/B3: 5.61248
  Sterimol/B4: 6.23262  Sterimol/L: 14.6791 
 
 Surface and Volume Properties
  Accessible surface: 596.695  Positive charged surface: 321.577  Negative charged surface: 263.422  Volume: 347
  Hydrophobic surface: 522.997  Hydrophilic surface: 73.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02738214
PUBCHEM-ZINC00786534