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MAYBRIDGE-ZINC03138562

 MMsINC code: MMs02161639
Type: Neutral
Formula: C19H23NO5
SMILES:   O(C)c1c(OC)cc(cc1OC)\C=N\Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H23NO5/c1-21-15-7-6-13(8-16(15)22-2)11-20-12-14-9-17(23-3)19(25-5)18(10-14)24-4/h6-10,12H,11H2,1-5H3/b20-12+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -3.50556  SlogP: 3.6151  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736644  Sterimol/B1: 2.2525  Sterimol/B2: 4.44175  Sterimol/B3: 5.74926
  Sterimol/B4: 7.05004  Sterimol/L: 17.6458 
 
 Surface and Volume Properties
  Accessible surface: 663.277  Positive charged surface: 561.04  Negative charged surface: 102.237  Volume: 339.625
  Hydrophobic surface: 600.758  Hydrophilic surface: 62.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.