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ENAMINE-ZINC03544340

 MMsINC code: MMs01499858
Type: Neutral
Formula: C23H19N3O5
SMILES:   O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)Nc1ccc(cc1)C(=O)N
InChI:   InChI=1/C23H19N3O5/c24-21(28)15-10-12-17(13-11-15)25-20(27)14-31-23(30)18-8-4-5-9-19(18)26-22(29)16-6-2-1-3-7-16/h1-13H,14H2,(H2,24,28)(H,25,27)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.421 g/mol  logS: -5.98515  SlogP: 2.8333  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122972  Sterimol/B1: 2.45152  Sterimol/B2: 2.664  Sterimol/B3: 3.0031
  Sterimol/B4: 10.0522  Sterimol/L: 21.657 
 
 Surface and Volume Properties
  Accessible surface: 707.646  Positive charged surface: 403.485  Negative charged surface: 304.161  Volume: 381.75
  Hydrophobic surface: 503.103  Hydrophilic surface: 204.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.