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ASINEX-ZINC00867832

 MMsINC code: MMs00200396
Type: Neutral
Formula: C26H24N4O4
SMILES:   O(C)c1cc(OC)c(OC)cc1\C=N\NC(=O)c1[nH]nc(c1)-c1ccc(cc1)-c1ccc
cc1
InChI:   InChI=1/C26H24N4O4/c1-32-23-15-25(34-3)24(33-2)13-20(23)16-27-30-26(31)22-14-21(28-29-22)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3,(H,28,29)(H,30,31)/b27-16+

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Potential Energy
Epot(MMFF94)=167.542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.502 g/mol  logS: -7.09981  SlogP: 4.5334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00166548  Sterimol/B1: 2.03636  Sterimol/B2: 2.38193  Sterimol/B3: 2.38353
  Sterimol/B4: 8.25249  Sterimol/L: 25.7385 
 
 Surface and Volume Properties
  Accessible surface: 796.302  Positive charged surface: 530.141  Negative charged surface: 253.986  Volume: 437
  Hydrophobic surface: 643.103  Hydrophilic surface: 153.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  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.