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PUBCHEM-ZINC04681145

 MMsINC code: MMs03155155
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)CCCC(=O)NCCCOC(C)C)cc1
InChI:   InChI=1/C24H32N2O4/c1-19(2)29-17-7-16-25-23(27)10-6-11-24(28)26-21-12-14-22(15-13-21)30-18-20-8-4-3-5-9-20/h3-5,8-9,12-15,19H,6-7,10-11,16-18H2,1-2H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.4948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -4.54226  SlogP: 4.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130459  Sterimol/B1: 2.244  Sterimol/B2: 3.119  Sterimol/B3: 4.35858
  Sterimol/B4: 5.98192  Sterimol/L: 28.7532 
 
 Surface and Volume Properties
  Accessible surface: 823.473  Positive charged surface: 563.933  Negative charged surface: 259.54  Volume: 422.875
  Hydrophobic surface: 672.351  Hydrophilic surface: 151.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.