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ENAMINE-ZINC06625492

 MMsINC code: MMs01687310
Type: Neutral
Formula: C19H23NO5
SMILES:   O(C)c1cc(OC)ccc1\C=N\OCCOc1ccc(OCC)cc1
InChI:   InChI=1/C19H23NO5/c1-4-23-16-7-9-17(10-8-16)24-11-12-25-20-14-15-5-6-18(21-2)13-19(15)22-3/h5-10,13-14H,4,11-12H2,1-3H3/b20-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.96 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -3.94161  SlogP: 3.532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199736  Sterimol/B1: 2.60079  Sterimol/B2: 3.4703  Sterimol/B3: 4.1478
  Sterimol/B4: 5.93751  Sterimol/L: 23.3599 
 
 Surface and Volume Properties
  Accessible surface: 680.084  Positive charged surface: 514.59  Negative charged surface: 165.494  Volume: 341.875
  Hydrophobic surface: 600.951  Hydrophilic surface: 79.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.