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ENAMINE-ZINC03318967

 MMsINC code: MMs01368923
Type: Neutral
Formula: C19H23NO4
SMILES:   O(CCCC(=O)Nc1cc(OC)ccc1)c1ccc(OCC)cc1
InChI:   InChI=1/C19H23NO4/c1-3-23-16-9-11-17(12-10-16)24-13-5-8-19(21)20-15-6-4-7-18(14-15)22-2/h4,6-7,9-12,14H,3,5,8,13H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.396 g/mol  logS: -3.94335  SlogP: 3.8916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107404  Sterimol/B1: 2.50831  Sterimol/B2: 2.80434  Sterimol/B3: 2.955
  Sterimol/B4: 5.7766  Sterimol/L: 23.0053 
 
 Surface and Volume Properties
  Accessible surface: 653.167  Positive charged surface: 458.534  Negative charged surface: 194.633  Volume: 329.375
  Hydrophobic surface: 563.639  Hydrophilic surface: 89.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.