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ASINEX-ZINC04595639

MMsINC code: MMs00354597

Type: Neutral
Formula: C24H20N4O
SMILES:   Oc1ccc(cc1)/C(=N/Nc1nc(nc(c1)-c1ccccc1)-c1ccccc1)/C
InChI:   InChI=1/C24H20N4O/c1-17(18-12-14-21(29)15-13-18)27-28-23-16-22(19-8-4-2-5-9-19)25-24(26-23)20-10-6-3-7-11-20/h2-16,29H,1H3,(H,25,26,28)/b27-17-

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Potential Energy
Epot(MMFF94)=116.862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.451 g/mol  logS: -7.24608  SlogP: 5.3523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.019841  Sterimol/B1: 2.53563  Sterimol/B2: 3.48541  Sterimol/B3: 3.83765
  Sterimol/B4: 10.8427  Sterimol/L: 16.3366 
 
 Surface and Volume Properties
  Accessible surface: 677.083  Positive charged surface: 369.116  Negative charged surface: 297.459  Volume: 375.875
  Hydrophobic surface: 574.753  Hydrophilic surface: 102.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.