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CHEMBRIDGE-ZINC01787478

 MMsINC code: MMs00697607
Type: Neutral
Formula: C24H27NO5
SMILES:   O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(OCc1ccc(cc1)C(C)(C)C)=O
InChI:   InChI=1/C24H27NO5/c1-24(2,3)18-9-6-16(7-10-18)15-30-23(28)17-8-11-19-20(14-17)22(27)25(21(19)26)12-5-13-29-4/h6-11,14H,5,12-13,15H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.9295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -6.44835  SlogP: 4.24  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029112  Sterimol/B1: 2.80173  Sterimol/B2: 4.07847  Sterimol/B3: 4.60879
  Sterimol/B4: 5.1698  Sterimol/L: 23.9282 
 
 Surface and Volume Properties
  Accessible surface: 742.318  Positive charged surface: 493.294  Negative charged surface: 249.024  Volume: 404
  Hydrophobic surface: 560.23  Hydrophilic surface: 182.088
 
 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.