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PUBCHEM-ZINC04666665

 MMsINC code: MMs03150249
Type: Neutral
Formula: C25H26N2O4
SMILES:   O(C)c1ccc(cc1)CC(=O)Nc1cc(NC(=O)Cc2ccc(OC)cc2)ccc1C
InChI:   InChI=1/C25H26N2O4/c1-17-4-9-20(26-24(28)14-18-5-10-21(30-2)11-6-18)16-23(17)27-25(29)15-19-7-12-22(31-3)13-8-19/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.70903  SlogP: 4.37456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448095  Sterimol/B1: 2.08198  Sterimol/B2: 3.74289  Sterimol/B3: 4.15499
  Sterimol/B4: 11.984  Sterimol/L: 21.0432 
 
 Surface and Volume Properties
  Accessible surface: 758.713  Positive charged surface: 530.168  Negative charged surface: 228.545  Volume: 410.875
  Hydrophobic surface: 671.985  Hydrophilic surface: 86.728
 
 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.