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ASINEX-ZINC00792443

 MMsINC code: MMs00165279
Type: Neutral
Formula: C24H15NO3
SMILES:   O=C1N(C(=O)c2c3c1ccc(c3ccc2)C(=O)C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H15NO3/c1-14(26)18-11-12-21-22-19(18)7-4-8-20(22)23(27)25(24(21)28)17-10-9-15-5-2-3-6-16(15)13-17/h2-13H,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.388 g/mol  logS: -7.82662  SlogP: 4.9962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590182  Sterimol/B1: 2.6723  Sterimol/B2: 4.02334  Sterimol/B3: 4.4758
  Sterimol/B4: 7.19315  Sterimol/L: 18.6576 
 
 Surface and Volume Properties
  Accessible surface: 579.855  Positive charged surface: 293.583  Negative charged surface: 266.173  Volume: 340.375
  Hydrophobic surface: 491.937  Hydrophilic surface: 87.918
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.