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PUBCHEM-ZINC05494448

 MMsINC code: MMs03286067
Type: Neutral
Formula: C20H24N2O4
SMILES:   O(CCOc1ccc(cc1)/C(=N\OC)/C)c1ccc(cc1)/C(=N/OC)/C
InChI:   InChI=1/C20H24N2O4/c1-15(21-23-3)17-5-9-19(10-6-17)25-13-14-26-20-11-7-18(8-12-20)16(2)22-24-4/h5-12H,13-14H2,1-4H3/b21-15-,22-16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.422 g/mol  logS: -4.35962  SlogP: 3.8852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505625  Sterimol/B1: 2.40364  Sterimol/B2: 3.18497  Sterimol/B3: 5.1973
  Sterimol/B4: 6.87917  Sterimol/L: 22.1758 
 
 Surface and Volume Properties
  Accessible surface: 701.066  Positive charged surface: 514.962  Negative charged surface: 186.104  Volume: 356.5
  Hydrophobic surface: 652.621  Hydrophilic surface: 48.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.