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CHEMBLOCK-ZINC04733232

 MMsINC code: MMs00575174
Type: Neutral
Formula: C24H21NO6
SMILES:   O1CCOc2cc(NC(=O)COc3ccccc3)c(cc12)C(=O)c1ccc(OC)cc1
InChI:   InChI=1/C24H21NO6/c1-28-17-9-7-16(8-10-17)24(27)19-13-21-22(30-12-11-29-21)14-20(19)25-23(26)15-31-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.433 g/mol  logS: -5.80448  SlogP: 3.7149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133967  Sterimol/B1: 1.969  Sterimol/B2: 2.30701  Sterimol/B3: 7.14473
  Sterimol/B4: 10.7429  Sterimol/L: 18.138 
 
 Surface and Volume Properties
  Accessible surface: 703.677  Positive charged surface: 459.956  Negative charged surface: 243.721  Volume: 389.75
  Hydrophobic surface: 602.638  Hydrophilic surface: 101.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.