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PUBCHEM-ZINC06558214

 MMsINC code: MMs03795708
Type: Neutral
Formula: C24H25NO5
SMILES:   O=C1N(CCCC)C(=O)c2c1cc(cc2)C(OCC(=O)c1cc(C)c(cc1C)C)=O
InChI:   InChI=1/C24H25NO5/c1-5-6-9-25-22(27)18-8-7-17(12-20(18)23(25)28)24(29)30-13-21(26)19-11-15(3)14(2)10-16(19)4/h7-8,10-12H,5-6,9,13H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.1863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -6.88167  SlogP: 4.04766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016518  Sterimol/B1: 2.03188  Sterimol/B2: 4.15198  Sterimol/B3: 4.6946
  Sterimol/B4: 5.44769  Sterimol/L: 23.8212 
 
 Surface and Volume Properties
  Accessible surface: 723.373  Positive charged surface: 446.596  Negative charged surface: 276.777  Volume: 396.25
  Hydrophobic surface: 562.561  Hydrophilic surface: 160.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.