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PUBCHEM-ZINC05650479

 MMsINC code: MMs03336768
Type: Neutral
Formula: C24H32N2O4
SMILES:   O(CCCCCCOc1ccc(cc1)C(OCC)=N)c1ccc(cc1)C(OCC)=N
InChI:   InChI=1/C24H32N2O4/c1-3-27-23(25)19-9-13-21(14-10-19)29-17-7-5-6-8-18-30-22-15-11-20(12-16-22)24(26)28-4-2/h9-16,25-26H,3-8,17-18H2,1-2H3/b25-23-,26-24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.53 g/mol  logS: -5.90646  SlogP: 5.42854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00417262  Sterimol/B1: 2.37581  Sterimol/B2: 2.37715  Sterimol/B3: 2.7866
  Sterimol/B4: 7.23334  Sterimol/L: 28.5444 
 
 Surface and Volume Properties
  Accessible surface: 819.849  Positive charged surface: 573.36  Negative charged surface: 246.489  Volume: 429.875
  Hydrophobic surface: 663.271  Hydrophilic surface: 156.578
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.