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FRINTON-ZINC05782676

 MMsINC code: MMs01728146
Type: Neutral
Formula: C26H36N2O2
SMILES:   O(CCCCCC)c1ccc(cc1)\C=N\N=C\c1ccc(OCCCCCC)cc1
InChI:   InChI=1/C26H36N2O2/c1-3-5-7-9-19-29-25-15-11-23(12-16-25)21-27-28-22-24-13-17-26(18-14-24)30-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3/b27-21+,28-22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.8433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.586 g/mol  logS: -7.74294  SlogP: 7.0578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00377257  Sterimol/B1: 2.37478  Sterimol/B2: 2.37749  Sterimol/B3: 4.32917
  Sterimol/B4: 6.20482  Sterimol/L: 31.4299 
 
 Surface and Volume Properties
  Accessible surface: 864.245  Positive charged surface: 631.477  Negative charged surface: 232.768  Volume: 448.125
  Hydrophobic surface: 755.996  Hydrophilic surface: 108.249
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.