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PUBCHEM-ZINC04660117

 MMsINC code: MMs03148825
Type: Neutral
Formula: C24H18N2O2
SMILES:   OC(=O)c1ccc(cc1)C(c1c2c([nH]c1)cccc2)c1c2c([nH]c1)cccc2
InChI:   InChI=1/C24H18N2O2/c27-24(28)16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -5.37947  SlogP: 5.5276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284079  Sterimol/B1: 2.79109  Sterimol/B2: 3.28654  Sterimol/B3: 5.63812
  Sterimol/B4: 10.4844  Sterimol/L: 13.8044 
 
 Surface and Volume Properties
  Accessible surface: 618.462  Positive charged surface: 322.65  Negative charged surface: 285.92  Volume: 354.125
  Hydrophobic surface: 443.65  Hydrophilic surface: 174.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: 0
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Ions/Tautomers related molecules


MMs03148826
PUBCHEM-ZINC04660117