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ENAMINE-ZINC03490214

 MMsINC code: MMs01470859
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(C(=O)CC(NC(=O)c1ccccc1)c1ccccc1)CC(=O)NCc1ccccc1
InChI:   InChI=1/C25H24N2O4/c28-23(26-17-19-10-4-1-5-11-19)18-31-24(29)16-22(20-12-6-2-7-13-20)27-25(30)21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,26,28)(H,27,30)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.5428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.52947  SlogP: 3.7693  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.049422  Sterimol/B1: 3.17855  Sterimol/B2: 4.38875  Sterimol/B3: 6.61928
  Sterimol/B4: 6.90715  Sterimol/L: 20.0543 
 
 Surface and Volume Properties
  Accessible surface: 764.721  Positive charged surface: 437.043  Negative charged surface: 327.677  Volume: 411.875
  Hydrophobic surface: 651.909  Hydrophilic surface: 112.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.