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ENAMINE-ZINC03320446

 MMsINC code: MMs01369930
Type: Neutral
Formula: C16H19NO5
SMILES:   o1nc(C)c(COC(=O)CCOc2ccc(OC)cc2)c1C
InChI:   InChI=1/C16H19NO5/c1-11-15(12(2)22-17-11)10-21-16(18)8-9-20-14-6-4-13(19-3)5-7-14/h4-7H,8-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=61.2598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.33 g/mol  logS: -2.81676  SlogP: 3.07874  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0596472  Sterimol/B1: 2.0789  Sterimol/B2: 3.27238  Sterimol/B3: 4.75359
  Sterimol/B4: 7.16395  Sterimol/L: 19.0498 
 
 Surface and Volume Properties
  Accessible surface: 588.836  Positive charged surface: 378.873  Negative charged surface: 209.963  Volume: 292.5
  Hydrophobic surface: 506.649  Hydrophilic surface: 82.187
 
 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.