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CHEMBLOCK-ZINC01446113

MMsINC code: MMs00528264

Type: Neutral
Formula: C23H19NO5
SMILES:   O1CCOc2cc(NC(=O)c3ccc(OC)cc3)c(cc12)C(=O)c1ccccc1
InChI:   InChI=1/C23H19NO5/c1-27-17-9-7-16(8-10-17)23(26)24-19-14-21-20(28-11-12-29-21)13-18(19)22(25)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=137.274 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: 0.0917799  Sterimol/B1: 3.38548  Sterimol/B2: 3.53299  Sterimol/B3: 5.37524
  Sterimol/B4: 8.01122  Sterimol/L: 18.2131 
 
 Surface and Volume Properties
  Accessible surface: 644.019  Positive charged surface: 415.723  Negative charged surface: 228.297  Volume: 362.625
  Hydrophobic surface: 558.013  Hydrophilic surface: 86.006
 
 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.