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PUBCHEM-ZINC04649191

 MMsINC code: MMs03145869
Type: Neutral
Formula: C25H36N2O4
SMILES:   OC(=O)c1cc(NC(=O)CCC2CCCCC2)c(NC(=O)CCC2CCCCC2)cc1
InChI:   InChI=1/C25H36N2O4/c28-23(15-11-18-7-3-1-4-8-18)26-21-14-13-20(25(30)31)17-22(21)27-24(29)16-12-19-9-5-2-6-10-19/h13-14,17-19H,1-12,15-16H2,(H,26,28)(H,27,29)(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.4296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.573 g/mol  logS: -8.15528  SlogP: 5.9828  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239205  Sterimol/B1: 2.94626  Sterimol/B2: 3.68515  Sterimol/B3: 4.57938
  Sterimol/B4: 10.9756  Sterimol/L: 20.7466 
 
 Surface and Volume Properties
  Accessible surface: 775.209  Positive charged surface: 574.904  Negative charged surface: 200.305  Volume: 432.625
  Hydrophobic surface: 608.865  Hydrophilic surface: 166.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03145870
PUBCHEM-ZINC04649191