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CHEMBLOCK-ZINC04356999

 MMsINC code: MMs00548777
Type: Neutral
Formula: C28H24N2O
SMILES:   O(Cc1ccccc1)c1ccc(cc1)C1N(N=C(C1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-24(17-19-26)28-20-27(23-12-6-2-7-13-23)29-30(28)25-14-8-3-9-15-25/h1-19,28H,20-21H2/t28-/m1/s1

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Potential Energy
Epot(MMFF94)=130.356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.513 g/mol  logS: -6.99823  SlogP: 6.9832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878617  Sterimol/B1: 3.39706  Sterimol/B2: 4.71414  Sterimol/B3: 5.51834
  Sterimol/B4: 9.06105  Sterimol/L: 19.4885 
 
 Surface and Volume Properties
  Accessible surface: 728.182  Positive charged surface: 414.311  Negative charged surface: 313.871  Volume: 416.5
  Hydrophobic surface: 708.689  Hydrophilic surface: 19.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.