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ENAMINE-ZINC03446199

 MMsINC code: MMs01447567
Type: Neutral
Formula: C25H20N2O4
SMILES:   O(Cc1ccc(cc1)C(=O)N\N=C\c1cc(O)c(O)cc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C25H20N2O4/c28-23-12-7-18(13-24(23)29)15-26-27-25(30)20-8-5-17(6-9-20)16-31-22-11-10-19-3-1-2-4-21(19)14-22/h1-15,28-29H,16H2,(H,27,30)/b26-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.445 g/mol  logS: -6.51041  SlogP: 4.8603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265745  Sterimol/B1: 2.94943  Sterimol/B2: 3.47814  Sterimol/B3: 3.78102
  Sterimol/B4: 5.39599  Sterimol/L: 25.3201 
 
 Surface and Volume Properties
  Accessible surface: 748.275  Positive charged surface: 414.248  Negative charged surface: 322.956  Volume: 391.875
  Hydrophobic surface: 565.392  Hydrophilic surface: 182.883
 
 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.