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PUBCHEM-ZINC04702673

 MMsINC code: MMs03160637
Type: Neutral
Formula: C22H26N2O4
SMILES:   O(C(=O)C(NC(=O)CCC(=O)NCCc1ccccc1)Cc1ccccc1)C
InChI:   InChI=1/C22H26N2O4/c1-28-22(27)19(16-18-10-6-3-7-11-18)24-21(26)13-12-20(25)23-15-14-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,23,25)(H,24,26)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.46 g/mol  logS: -3.76643  SlogP: 2.02594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324798  Sterimol/B1: 2.04993  Sterimol/B2: 3.28957  Sterimol/B3: 3.67959
  Sterimol/B4: 10.9116  Sterimol/L: 20.0842 
 
 Surface and Volume Properties
  Accessible surface: 725.886  Positive charged surface: 476.28  Negative charged surface: 249.606  Volume: 383.25
  Hydrophobic surface: 614.062  Hydrophilic surface: 111.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.