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ENAMINE-ZINC05617551

 MMsINC code: MMs01628423
Type: Neutral
Formula: C19H23NO5
SMILES:   O(CC)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1OCC
InChI:   InChI=1/C19H23NO5/c1-4-23-17-11-6-14(12-18(17)24-5-2)20-19(21)13-25-16-9-7-15(22-3)8-10-16/h6-12H,4-5,13H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.395 g/mol  logS: -4.23725  SlogP: 3.5101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153057  Sterimol/B1: 2.5495  Sterimol/B2: 2.86941  Sterimol/B3: 3.19573
  Sterimol/B4: 9.05532  Sterimol/L: 20.8059 
 
 Surface and Volume Properties
  Accessible surface: 666.796  Positive charged surface: 474.353  Negative charged surface: 192.443  Volume: 337.375
  Hydrophobic surface: 541.846  Hydrophilic surface: 124.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.