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ENAMINE-ZINC04932270

 MMsINC code: MMs01566158
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(CCCC)c1ccc(cc1)C(OCC(=O)NCC(=O)Nc1c(cc(cc1C)C)C)=O
InChI:   InChI=1/C24H30N2O5/c1-5-6-11-30-20-9-7-19(8-10-20)24(29)31-15-22(28)25-14-21(27)26-23-17(3)12-16(2)13-18(23)4/h7-10,12-13H,5-6,11,14-15H2,1-4H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.82505  SlogP: 3.70246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166467  Sterimol/B1: 3.05274  Sterimol/B2: 3.62349  Sterimol/B3: 4.30311
  Sterimol/B4: 7.33285  Sterimol/L: 26.5623 
 
 Surface and Volume Properties
  Accessible surface: 807.843  Positive charged surface: 529.369  Negative charged surface: 278.474  Volume: 422.25
  Hydrophobic surface: 652.375  Hydrophilic surface: 155.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.