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AURORAFEINCHEMIE-ZINC06664547

 MMsINC code: MMs00477434
Type: Neutral
Formula: C28H21NO2
SMILES:   O(Cc1ccccc1)C=1c2c(N(C(=O)C=1c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C28H21NO2/c30-28-26(22-14-6-2-7-15-22)27(31-20-21-12-4-1-5-13-21)24-18-10-11-19-25(24)29(28)23-16-8-3-9-17-23/h1-19H,20H2

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Potential Energy
Epot(MMFF94)=150.732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.481 g/mol  logS: -7.56486  SlogP: 6.7164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685122  Sterimol/B1: 3.64839  Sterimol/B2: 3.79589  Sterimol/B3: 5.21752
  Sterimol/B4: 7.82782  Sterimol/L: 18.1989 
 
 Surface and Volume Properties
  Accessible surface: 672.36  Positive charged surface: 376.408  Negative charged surface: 295.952  Volume: 403.875
  Hydrophobic surface: 642.77  Hydrophilic surface: 29.59
 
 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.