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CHEMSTAR-ZINC04524267

 MMsINC code: MMs01114660
Type: Neutral
Formula: C23H23NO6
SMILES:   O=C1N(CCCOC)C(=O)c2c1cc(cc2)C(OCC(=O)c1cc(C)c(cc1)C)=O
InChI:   InChI=1/C23H23NO6/c1-14-5-6-16(11-15(14)2)20(25)13-30-23(28)17-7-8-18-19(12-17)22(27)24(21(18)26)9-4-10-29-3/h5-8,11-12H,4,9-10,13H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.438 g/mol  logS: -5.70796  SlogP: 2.97564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.013719  Sterimol/B1: 3.04072  Sterimol/B2: 3.40921  Sterimol/B3: 3.70068
  Sterimol/B4: 5.64932  Sterimol/L: 24.5376 
 
 Surface and Volume Properties
  Accessible surface: 727.333  Positive charged surface: 461.818  Negative charged surface: 265.515  Volume: 385.875
  Hydrophobic surface: 566.924  Hydrophilic surface: 160.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.