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PUBCHEM-ZINC03045673

 MMsINC code: MMs02985511
Type: Neutral
Formula: C26H26N4O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)CNc1ccccc1C1=Nc2c(NC1=O)cccc2
InChI:   InChI=1/C26H26N4O4/c1-33-22-12-11-17(15-23(22)34-2)13-14-27-24(31)16-28-19-8-4-3-7-18(19)25-26(32)30-21-10-6-5-9-20(21)29-25/h3-12,15,28H,13-14,16H2,1-2H3,(H,27,31)(H,30,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 458.518 g/mol  logS: -5.85851  SlogP: 3.54747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800133  Sterimol/B1: 2.53093  Sterimol/B2: 5.53471  Sterimol/B3: 7.26243
  Sterimol/B4: 8.69349  Sterimol/L: 19.5545 
 
 Surface and Volume Properties
  Accessible surface: 799.991  Positive charged surface: 540.513  Negative charged surface: 259.478  Volume: 437.375
  Hydrophobic surface: 664.509  Hydrophilic surface: 135.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1
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Ions/Tautomers related molecules: no related molecules available.