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ENAMINE-ZINC04962929

 MMsINC code: MMs01570068
Type: Neutral
Formula: C24H20N6
SMILES:   n1ncc2c(cccc2)c1N\N=C\c1ccc(N2N=C(CC2)c2ccccc2)cc1
InChI:   InChI=1/C24H20N6/c1-2-6-19(7-3-1)23-14-15-30(29-23)21-12-10-18(11-13-21)16-25-27-24-22-9-5-4-8-20(22)17-26-28-24/h1-13,16-17H,14-15H2,(H,27,28)/b25-16+

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Potential Energy
Epot(MMFF94)=144.051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.466 g/mol  logS: -5.9579  SlogP: 4.6902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00162137  Sterimol/B1: 2.38172  Sterimol/B2: 2.39024  Sterimol/B3: 3.35073
  Sterimol/B4: 5.85619  Sterimol/L: 23.7865 
 
 Surface and Volume Properties
  Accessible surface: 703.869  Positive charged surface: 413.335  Negative charged surface: 280.562  Volume: 385.375
  Hydrophobic surface: 595.052  Hydrophilic surface: 108.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.