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ENAMINE-ZINC03490154

 MMsINC code: MMs01470836
Type: Neutral
Formula: C26H24N2O5
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)Nc1cc(ccc1)C(=O)C
InChI:   InChI=1/C26H24N2O5/c1-18(29)21-13-8-14-22(15-21)27-24(30)17-33-25(31)16-23(19-9-4-2-5-10-19)28-26(32)20-11-6-3-7-12-20/h2-15,23H,16-17H2,1H3,(H,27,30)(H,28,32)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.487 g/mol  logS: -5.8977  SlogP: 4.0278  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0379617  Sterimol/B1: 3.44423  Sterimol/B2: 4.11628  Sterimol/B3: 4.99326
  Sterimol/B4: 8.52217  Sterimol/L: 19.9047 
 
 Surface and Volume Properties
  Accessible surface: 780.787  Positive charged surface: 444.714  Negative charged surface: 336.073  Volume: 424.5
  Hydrophobic surface: 635.893  Hydrophilic surface: 144.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.