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ENAMINE-ZINC05044628

 MMsINC code: MMs01578599
Type: Neutral
Formula: C14H19NO5
SMILES:   O(CC(=O)NCCOC)c1ccc(cc1)C(OCC)=O
InChI:   InChI=1/C14H19NO5/c1-3-19-14(17)11-4-6-12(7-5-11)20-10-13(16)15-8-9-18-2/h4-7H,3,8-10H2,1-2H3,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.308 g/mol  logS: -2.45941  SlogP: 1.0047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130908  Sterimol/B1: 2.04275  Sterimol/B2: 2.65742  Sterimol/B3: 3.15093
  Sterimol/B4: 7.44695  Sterimol/L: 19.134 
 
 Surface and Volume Properties
  Accessible surface: 577.034  Positive charged surface: 422.104  Negative charged surface: 154.93  Volume: 272.125
  Hydrophobic surface: 451.487  Hydrophilic surface: 125.547
 
 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.