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PUBCHEM-ZINC01124098

 MMsINC code: MMs02774931
Type: Neutral
Formula: C25H24N2O4
SMILES:   O(CC(=O)Nc1cc(ccc1)C(=O)C)c1ccccc1C(=O)NCCc1ccccc1
InChI:   InChI=1/C25H24N2O4/c1-18(28)20-10-7-11-21(16-20)27-24(29)17-31-23-13-6-5-12-22(23)25(30)26-15-14-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3,(H,26,30)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.76 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.71946  SlogP: 3.87917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371323  Sterimol/B1: 2.37033  Sterimol/B2: 2.61353  Sterimol/B3: 4.80764
  Sterimol/B4: 12.5185  Sterimol/L: 18.2692 
 
 Surface and Volume Properties
  Accessible surface: 749.587  Positive charged surface: 445.625  Negative charged surface: 303.961  Volume: 405.625
  Hydrophobic surface: 630.24  Hydrophilic surface: 119.347
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.