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PUBCHEM-ZINC05604218

 MMsINC code: MMs03321875
Type: Neutral
Formula: C24H24N2O4
SMILES:   OCC(NC(=O)c1ccccc1C(=O)NC(CO)c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O4/c27-15-21(17-9-3-1-4-10-17)25-23(29)19-13-7-8-14-20(19)24(30)26-22(16-28)18-11-5-2-6-12-18/h1-14,21-22,27-28H,15-16H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -4.80786  SlogP: 2.8044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995801  Sterimol/B1: 2.69146  Sterimol/B2: 3.34781  Sterimol/B3: 6.15672
  Sterimol/B4: 8.92259  Sterimol/L: 18.1707 
 
 Surface and Volume Properties
  Accessible surface: 703.554  Positive charged surface: 433.088  Negative charged surface: 270.465  Volume: 394.25
  Hydrophobic surface: 583.551  Hydrophilic surface: 120.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.