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PUBCHEM-ZINC04672493

 MMsINC code: MMs03151582
Type: Neutral
Formula: C26H26N2O3
SMILES:   O(c1cc(ccc1)C(N1CCC1=O)C(=O)Nc1c(cccc1C)CC)c1ccccc1
InChI:   InChI=1/C26H26N2O3/c1-3-19-10-7-9-18(2)24(19)27-26(30)25(28-16-15-23(28)29)20-11-8-14-22(17-20)31-21-12-5-4-6-13-21/h4-14,17,25H,3,15-16H2,1-2H3,(H,27,30)/t25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.505 g/mol  logS: -6.07108  SlogP: 5.35729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736691  Sterimol/B1: 3.20687  Sterimol/B2: 3.40148  Sterimol/B3: 4.5457
  Sterimol/B4: 10.2676  Sterimol/L: 17.3902 
 
 Surface and Volume Properties
  Accessible surface: 675.478  Positive charged surface: 353.892  Negative charged surface: 258.764  Volume: 413.125
  Hydrophobic surface: 589.433  Hydrophilic surface: 86.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.