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ENAMINE-ZINC05017966

 MMsINC code: MMs01575390
Type: Neutral
Formula: C24H18N2O5
SMILES:   O=C1N(COC(=O)c2ccccc2NC(=O)c2cc(ccc2)C)C(=O)c2c1cccc2
InChI:   InChI=1/C24H18N2O5/c1-15-7-6-8-16(13-15)21(27)25-20-12-5-4-11-19(20)24(30)31-14-26-22(28)17-9-2-3-10-18(17)23(26)29/h2-13H,14H2,1H3,(H,25,27)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.417 g/mol  logS: -6.26021  SlogP: 3.65782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124208  Sterimol/B1: 2.82983  Sterimol/B2: 3.24384  Sterimol/B3: 5.13602
  Sterimol/B4: 9.99349  Sterimol/L: 16.7541 
 
 Surface and Volume Properties
  Accessible surface: 666.478  Positive charged surface: 382.769  Negative charged surface: 283.709  Volume: 380.25
  Hydrophobic surface: 546.85  Hydrophilic surface: 119.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.