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IBS-ZINC04728718

 MMsINC code: MMs01889593
Type: Neutral
Formula: C28H17NO2
SMILES:   O=C1N(C(=O)c2c1cccc2)c1cc2C3c4c(C(c2cc1)c1c3cccc1)cccc4
InChI:   InChI=1/C28H17NO2/c30-27-22-11-5-6-12-23(22)28(31)29(27)16-13-14-21-24(15-16)26-19-9-3-1-7-17(19)25(21)18-8-2-4-10-20(18)26/h1-15,25-26H/t25-,26+

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Potential Energy
Epot(MMFF94)=164.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.449 g/mol  logS: -7.98527  SlogP: 5.4744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147333  Sterimol/B1: 2.29848  Sterimol/B2: 4.32839  Sterimol/B3: 4.59615
  Sterimol/B4: 8.80502  Sterimol/L: 16.403 
 
 Surface and Volume Properties
  Accessible surface: 648.681  Positive charged surface: 339.813  Negative charged surface: 308.868  Volume: 378.875
  Hydrophobic surface: 579.131  Hydrophilic surface: 69.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.