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ASINEX-ZINC01222767

 MMsINC code: MMs00232021
Type: Neutral
Formula: C24H26N6O2
SMILES:   O(C)c1cc2NC(=O)C(=Cc2cc1)C(N1CCc2c1cccc2)c1nnnn1C(C)(C)C
InChI:   InChI=1/C24H26N6O2/c1-24(2,3)30-22(26-27-28-30)21(29-12-11-15-7-5-6-8-20(15)29)18-13-16-9-10-17(32-4)14-19(16)25-23(18)31/h5-10,13-14,21H,11-12H2,1-4H3,(H,25,31)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=175.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.512 g/mol  logS: -4.60672  SlogP: 3.98317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134348  Sterimol/B1: 2.6437  Sterimol/B2: 4.38469  Sterimol/B3: 6.08093
  Sterimol/B4: 6.74678  Sterimol/L: 18.308 
 
 Surface and Volume Properties
  Accessible surface: 641.307  Positive charged surface: 415.238  Negative charged surface: 195.39  Volume: 406.375
  Hydrophobic surface: 519.725  Hydrophilic surface: 121.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.