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ASINEX-ZINC01577895

 MMsINC code: MMs00255341
Type: Neutral
Formula: C26H23NO3
SMILES:   O(C)c1ccc(cc1)-c1cc(nc(c1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
InChI:   InChI=1/C26H23NO3/c1-28-22-10-4-18(5-11-22)21-16-25(19-6-12-23(29-2)13-7-19)27-26(17-21)20-8-14-24(30-3)15-9-20/h4-17H,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.474 g/mol  logS: -7.49462  SlogP: 6.1084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00550153  Sterimol/B1: 2.37481  Sterimol/B2: 2.3788  Sterimol/B3: 2.55895
  Sterimol/B4: 14.2085  Sterimol/L: 18.2651 
 
 Surface and Volume Properties
  Accessible surface: 713.337  Positive charged surface: 441.64  Negative charged surface: 247.533  Volume: 399.375
  Hydrophobic surface: 661.974  Hydrophilic surface: 51.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.