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CHEMDIV-ZINC06809406

 MMsINC code: MMs01036969
Type: Neutral
Formula: C26H21N3O
SMILES:   O(C)c1ccc(cc1)-c1c2n(nc1C)C(=CC(=N2)c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H21N3O/c1-18-25(21-13-15-22(30-2)16-14-21)26-27-23(19-9-5-3-6-10-19)17-24(29(26)28-18)20-11-7-4-8-12-20/h3-17H,1-2H3

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Potential Energy
Epot(MMFF94)=137.334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.474 g/mol  logS: -7.52799  SlogP: 5.70801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595214  Sterimol/B1: 2.21071  Sterimol/B2: 3.66201  Sterimol/B3: 3.79305
  Sterimol/B4: 12.444  Sterimol/L: 18.2757 
 
 Surface and Volume Properties
  Accessible surface: 697.702  Positive charged surface: 414.745  Negative charged surface: 282.957  Volume: 392.875
  Hydrophobic surface: 668.256  Hydrophilic surface: 29.446
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.