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CHEMBLOCK-ZINC01439951

MMsINC code: MMs00526171

Type: Neutral
Formula: C23H19NO5
SMILES:   O1CCOc2cc(NC(=O)c3cc(OC)ccc3)c(cc12)C(=O)c1ccccc1
InChI:   InChI=1/C23H19NO5/c1-27-17-9-5-8-16(12-17)23(26)24-19-14-21-20(28-10-11-29-21)13-18(19)22(25)15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=135.115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.407 g/mol  logS: -5.72766  SlogP: 3.9497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888327  Sterimol/B1: 3.05953  Sterimol/B2: 3.97083  Sterimol/B3: 4.66217
  Sterimol/B4: 9.60945  Sterimol/L: 17.3234 
 
 Surface and Volume Properties
  Accessible surface: 646.943  Positive charged surface: 414.391  Negative charged surface: 232.552  Volume: 361.75
  Hydrophobic surface: 562.755  Hydrophilic surface: 84.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.