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ENAMINE-ZINC03442506

 MMsINC code: MMs01445064
Type: Neutral
Formula: C25H23N3O5
SMILES:   O(C(=O)c1ccccc1CCc1ccccc1)CC(=O)Nc1cc(cc(c1)C(=O)N)C(=O)N
InChI:   InChI=1/C25H23N3O5/c26-23(30)18-12-19(24(27)31)14-20(13-18)28-22(29)15-33-25(32)21-9-5-4-8-17(21)11-10-16-6-2-1-3-7-16/h1-9,12-14H,10-11,15H2,(H2,26,30)(H2,27,31)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.475 g/mol  logS: -6.75858  SlogP: 2.46504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016348  Sterimol/B1: 2.41263  Sterimol/B2: 2.87442  Sterimol/B3: 3.32344
  Sterimol/B4: 10.7159  Sterimol/L: 20.1013 
 
 Surface and Volume Properties
  Accessible surface: 753.882  Positive charged surface: 436.997  Negative charged surface: 316.885  Volume: 416.5
  Hydrophobic surface: 481.676  Hydrophilic surface: 272.206
 
 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.