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CHEMDIV-ZINC03615041

 MMsINC code: MMs00911320
Type: Neutral
Formula: C24H22N2O5
SMILES:   O1CCOc2c1cc(NC(=O)C(NC(=O)c1ccc(OC)cc1)c1ccccc1)cc2
InChI:   InChI=1/C24H22N2O5/c1-29-19-10-7-17(8-11-19)23(27)26-22(16-5-3-2-4-6-16)24(28)25-18-9-12-20-21(15-18)31-14-13-30-20/h2-12,15,22H,13-14H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.348 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.449 g/mol  logS: -5.59532  SlogP: 3.6717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610804  Sterimol/B1: 2.26009  Sterimol/B2: 3.38277  Sterimol/B3: 4.86973
  Sterimol/B4: 9.87644  Sterimol/L: 19.9077 
 
 Surface and Volume Properties
  Accessible surface: 710.651  Positive charged surface: 463.986  Negative charged surface: 246.665  Volume: 394.25
  Hydrophobic surface: 620.498  Hydrophilic surface: 90.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.