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CHEMBRIDGE-ZINC00935792

 MMsINC code: MMs00645712
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C)c1ccc(OC)cc1NC(=O)COc1ccc(cc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H24N2O5/c1-29-20-12-13-22(30-2)21(14-20)26-23(27)16-31-19-10-8-18(9-11-19)24(28)25-15-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.44648  SlogP: 3.9177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021144  Sterimol/B1: 3.37409  Sterimol/B2: 3.54997  Sterimol/B3: 4.27312
  Sterimol/B4: 8.27949  Sterimol/L: 21.763 
 
 Surface and Volume Properties
  Accessible surface: 763.115  Positive charged surface: 504.908  Negative charged surface: 258.207  Volume: 402.75
  Hydrophobic surface: 650.208  Hydrophilic surface: 112.907
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.