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ENAMINE-ZINC03334858

 MMsINC code: MMs01379125
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(CC(=O)Nc1cc(OC)ccc1OC)c1ccccc1C(=O)NCc1ccccc1
InChI:   InChI=1/C24H24N2O5/c1-29-18-12-13-22(30-2)20(14-18)26-23(27)16-31-21-11-7-6-10-19(21)24(28)25-15-17-8-4-3-5-9-17/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.44648  SlogP: 3.9177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301876  Sterimol/B1: 2.43449  Sterimol/B2: 2.48521  Sterimol/B3: 4.75798
  Sterimol/B4: 11.5204  Sterimol/L: 20.7007 
 
 Surface and Volume Properties
  Accessible surface: 756.178  Positive charged surface: 511.766  Negative charged surface: 244.412  Volume: 403.875
  Hydrophobic surface: 657.447  Hydrophilic surface: 98.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.